#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ane s ILE 11 N 0.00 -0.00 0.36 6.31 2.07 -0.50 -4.97 121.20 124.47 2ane s ILE 11 Ca 0.00 0.02 -0.28 0.00 -1.41 0.00 0.00 60.65 58.98 2ane s ILE 11 Cb 0.00 -0.62 -0.10 0.00 0.13 0.00 0.00 42.46 41.88 2ane s ILE 11 CO 0.00 0.01 1.32 -2.84 -1.91 0.00 0.00 174.94 171.51 2ane s PRO 12 N 0.45 4.19 -0.20 3.50 0.02 -1.26 -1.11 135.00 140.59 2ane s PRO 12 Ca -0.02 2.22 -0.03 0.00 0.02 0.00 0.00 61.00 63.19 2ane s PRO 12 Cb -0.04 -2.94 -0.01 0.00 0.02 0.00 0.00 34.50 31.53 2ane s PRO 12 CO -0.02 -0.33 -0.07 0.08 -0.33 0.00 0.00 177.00 176.33 2ane s VAL 13 N -1.19 3.22 -0.45 3.83 1.01 -0.22 -0.38 120.40 126.23 2ane s VAL 13 Ca 0.52 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 2ane s VAL 13 Cb -0.40 -2.44 0.08 0.00 0.00 0.00 0.00 36.38 33.62 2ane s VAL 13 CO 0.52 0.45 0.33 -0.22 0.00 0.00 0.00 175.10 176.18 2ane s LEU 14 N 1.27 5.41 0.25 3.92 2.96 0.13 -4.29 118.68 128.33 2ane s LEU 14 Ca 0.03 -1.44 -0.30 0.00 -0.22 0.00 0.00 54.13 52.21 2ane s LEU 14 Cb -0.14 -2.09 -0.09 0.00 0.50 0.00 0.00 46.19 44.37 2ane s LEU 14 CO -0.03 -0.60 1.07 -2.16 -1.32 0.00 0.00 176.35 173.31 2ane s PRO 15 N 1.53 4.67 -0.07 0.98 0.04 -1.26 -1.98 135.00 138.91 2ane s PRO 15 Ca 0.04 1.73 0.02 0.00 0.04 0.00 0.00 61.00 62.83 2ane s PRO 15 Cb -0.24 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.09 2ane s PRO 15 CO 0.04 0.23 -0.13 -0.51 0.04 0.00 0.00 177.00 176.67 2ane s LEU 16 N -1.15 1.68 -0.09 -3.56 1.43 -0.03 -4.91 118.68 112.05 2ane s LEU 16 Ca 0.45 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2ane s LEU 16 Cb -0.30 -0.88 -0.26 0.00 0.03 0.00 0.00 46.19 44.78 2ane s LEU 16 CO 0.38 0.04 0.47 -0.09 0.23 0.00 0.00 176.35 177.38 2ane h ARG 17 N 6.98 0.20 0.00 1.70 2.43 -1.91 0.18 114.38 123.96 2ane h ARG 17 Ca -0.30 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 2ane h ARG 17 Cb 1.19 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 2ane h ARG 17 CO 0.47 1.02 -1.32 -0.25 -1.51 0.00 0.00 179.97 178.38 2ane n ASP 18 N -3.37 0.61 -3.89 -3.80 8.00 -1.26 -4.78 116.55 108.06 2ane n ASP 18 Ca -0.27 -0.54 -0.10 0.00 0.71 0.00 0.00 54.79 54.58 2ane n ASP 18 Cb 1.05 1.29 -0.10 0.00 -0.02 0.00 0.00 41.12 43.34 2ane n ASP 18 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2ane s VAL 19 N -3.20 0.10 -0.36 2.53 -7.23 -1.26 -5.11 120.40 105.87 2ane s VAL 19 Ca 0.02 -0.85 -0.02 0.00 -1.81 0.00 0.00 61.98 59.32 2ane s VAL 19 Cb 0.15 -0.63 0.08 0.00 0.56 0.00 0.00 36.38 36.55 2ane s VAL 19 CO 0.87 -0.47 0.11 -0.69 -0.31 0.00 0.00 175.10 174.61 2ane s VAL 20 N -1.90 3.15 -0.04 1.32 1.01 -1.26 -4.83 120.40 117.85 2ane s VAL 20 Ca -0.11 -1.75 -0.22 0.00 0.00 0.00 0.00 61.98 59.90 2ane s VAL 20 Cb -0.05 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2ane s VAL 20 CO -0.01 -0.43 0.67 -0.69 0.00 0.00 0.00 175.10 174.64 2ane s VAL 21 N 1.19 4.97 0.40 2.92 1.01 -1.26 -5.08 120.40 124.55 2ane s VAL 21 Ca 0.03 1.38 0.07 0.00 0.00 0.00 0.00 61.98 63.46 2ane s VAL 21 Cb -0.21 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 2ane s VAL 21 CO -0.03 0.32 0.12 -0.31 0.00 0.00 0.00 175.10 175.20 2ane s TYR 22 N 0.38 2.58 0.38 5.22 2.02 -1.26 -4.59 117.35 122.08 2ane s TYR 22 Ca 0.35 -0.59 -0.27 0.00 -0.37 0.00 0.00 57.07 56.19 2ane s TYR 22 Cb -0.18 -1.86 -0.11 0.00 -0.40 0.00 0.00 41.96 39.40 2ane s TYR 22 CO 0.18 0.29 1.25 -2.30 -1.57 0.00 0.00 175.55 173.40 2ane n PRO 23 N -1.14 1.96 0.00 -1.71 -0.02 -1.26 -1.63 135.00 131.20 2ane n PRO 23 Ca -0.02 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2ane n PRO 23 Cb 0.65 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 0.02 0.00 -2.56 6.00 8.25 -0.34 -4.91 115.22 121.69 2ane n HIS 24 Ca 0.06 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.11 2ane n HIS 24 Cb 0.38 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 -0.01 4.65 -0.09 -0.41 -1.94 -0.65 -4.74 119.30 116.11 2ane s MET 25 Ca 0.00 1.68 0.03 0.00 -1.71 0.00 0.00 55.69 55.69 2ane s MET 25 Cb 0.00 -3.27 -0.01 0.00 2.01 0.00 0.00 34.83 33.56 2ane s MET 25 CO 0.00 0.19 -0.18 0.08 -0.01 0.00 0.00 175.02 175.10 2ane s VAL 26 N -0.57 2.69 -0.12 -6.03 1.01 -1.26 -0.76 120.40 115.35 2ane s VAL 26 Ca 0.47 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 2ane s VAL 26 Cb -0.29 -2.07 0.07 0.00 0.00 0.00 0.00 36.38 34.09 2ane s VAL 26 CO 0.35 0.55 0.72 -0.51 0.00 0.00 0.00 175.10 176.22 2ane s ILE 27 N 0.01 0.00 0.03 2.22 2.07 -0.64 -4.99 121.20 119.89 2ane s ILE 27 Ca -0.06 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 58.94 2ane s ILE 27 Cb -0.15 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.39 2ane s ILE 27 CO 0.05 0.00 0.74 -2.84 -1.91 0.00 0.00 174.94 170.97 2ane s PRO 28 N -0.71 4.46 0.12 3.50 0.02 -1.26 -1.31 135.00 139.83 2ane s PRO 28 Ca -0.07 1.00 0.08 0.00 0.02 0.00 0.00 61.00 62.03 2ane s PRO 28 Cb -0.02 -3.37 -0.04 0.00 0.02 0.00 0.00 34.50 31.09 2ane s PRO 28 CO 0.07 0.27 -0.15 -0.51 -0.33 0.00 0.00 177.00 176.34 2ane s LEU 29 N 0.02 2.82 -0.14 -5.54 1.43 -0.05 -4.95 118.68 112.26 2ane s LEU 29 Ca 0.37 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 2ane s LEU 29 Cb -0.20 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.39 2ane s LEU 29 CO 0.22 0.18 -0.19 -0.36 0.23 0.00 0.00 176.35 176.42 2ane s PHE 30 N -1.18 2.71 -0.22 0.29 0.08 -1.26 -0.66 117.98 117.73 2ane s PHE 30 Ca 0.19 -1.21 0.01 0.00 0.12 0.00 0.00 56.93 56.04 2ane s PHE 30 Cb -0.11 -1.84 0.05 0.00 -0.57 0.00 0.00 43.02 40.56 2ane s PHE 30 CO 0.11 -0.55 -0.08 0.08 -0.10 0.00 0.00 175.22 174.68 2ane s VAL 31 N 0.79 1.68 -1.23 -0.44 1.01 0.16 -4.94 120.40 117.42 2ane s VAL 31 Ca -0.07 -1.19 0.12 0.00 0.00 0.00 0.00 61.98 60.84 2ane s VAL 31 Cb -0.16 -1.83 0.03 0.00 0.00 0.00 0.00 36.38 34.43 2ane s VAL 31 CO -0.01 0.03 0.76 0.61 0.00 0.00 0.00 175.10 176.50 2ane n GLY 32 N 4.64 -0.16 3.70 4.51 0.00 -1.26 -0.43 105.19 116.19 2ane n GLY 32 Ca -0.14 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.32 4.29 0.24 1.61 0.52 -1.26 -4.93 118.95 118.10 2ane s ARG 33 Ca 0.11 0.48 -0.05 0.00 -0.52 0.00 0.00 55.73 55.75 2ane s ARG 33 Cb 0.10 -3.49 0.41 0.00 0.52 0.00 0.00 34.95 32.49 2ane s ARG 33 CO 0.24 0.03 1.76 0.93 0.02 0.00 0.00 175.30 178.27 2ane h GLU 34 N 7.01 0.53 -0.51 3.54 5.08 -1.98 0.17 114.58 128.43 2ane h GLU 34 Ca -0.38 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.00 2ane h GLU 34 Cb 1.17 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.25 2ane h GLU 34 CO 0.75 0.35 0.25 -0.22 -1.00 0.00 0.00 179.01 179.14 2ane h LYS 35 N 0.55 0.46 -0.32 2.33 3.64 -1.93 0.24 116.57 121.54 2ane h LYS 35 Ca 0.39 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.67 2ane h LYS 35 Cb 0.51 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 2ane h LYS 35 CO -0.33 0.31 -0.10 0.77 -2.27 0.00 0.00 179.45 177.82 2ane h SER 36 N 0.48 0.51 -0.63 4.20 0.02 -1.29 -0.86 113.55 115.98 2ane h SER 36 Ca 0.23 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 2ane h SER 36 Cb 0.16 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2ane h SER 36 CO -0.17 0.65 0.05 0.40 -1.14 0.00 0.00 176.83 176.62 2ane h ILE 37 N 0.49 1.26 -0.77 3.27 1.08 0.71 -1.79 117.51 121.77 2ane h ILE 37 Ca 0.09 -1.10 -0.03 0.00 -0.39 0.00 0.00 64.86 63.44 2ane h ILE 37 Cb 0.47 0.72 -0.04 0.00 -3.07 0.00 0.00 36.82 34.91 2ane h ILE 37 CO 0.03 0.40 0.37 0.03 -0.69 0.00 0.00 178.15 178.29 2ane h ARG 38 N 1.00 1.10 -0.70 2.37 3.08 0.06 -1.58 114.38 119.71 2ane h ARG 38 Ca 0.19 -0.15 0.06 0.00 0.07 0.00 0.00 59.98 60.14 2ane h ARG 38 Cb 0.50 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.29 2ane h ARG 38 CO 0.02 0.85 0.40 0.00 -1.07 0.00 0.00 179.97 180.17 2ane h LEU 40 N 0.73 0.43 -0.53 0.00 3.38 -0.62 -2.86 115.31 115.84 2ane h LEU 40 Ca 0.32 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 58.04 2ane h LEU 40 Cb 0.20 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 2ane h LEU 40 CO -0.19 0.64 0.20 -0.33 0.09 0.00 0.00 178.44 178.86 2ane h GLU 41 N 0.20 0.38 -0.82 1.13 5.08 -0.97 -1.30 114.58 118.28 2ane h GLU 41 Ca 0.07 -0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.55 2ane h GLU 41 Cb 0.43 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 2ane h GLU 41 CO 0.01 0.25 0.54 0.00 -1.00 0.00 0.00 179.01 178.82 2ane h ALA 42 N 1.34 1.99 0.02 3.43 0.00 -1.14 -0.32 119.26 124.58 2ane h ALA 42 Ca 0.25 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.95 2ane h ALA 42 Cb 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2ane h ALA 42 CO -0.24 -0.21 -0.96 0.00 0.00 0.00 0.00 179.25 177.83 2ane h ALA 43 N 1.62 0.38 0.00 0.00 0.00 -1.04 -3.07 119.26 117.15 2ane h ALA 43 Ca 0.41 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2ane h ALA 43 Cb 0.80 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2ane h ALA 43 CO -0.16 0.87 -0.16 0.52 0.00 0.00 0.00 179.25 180.32 2ane h MET 44 N 0.17 0.00 0.00 0.00 2.07 -0.30 0.80 114.93 117.68 2ane h MET 44 Ca -0.08 0.00 -0.15 0.00 -2.07 0.00 0.00 59.70 57.41 2ane h MET 44 Cb 1.61 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 31.32 2ane h MET 44 CO 0.16 0.16 -0.71 -0.44 1.07 0.00 0.00 176.91 177.15 2ane h ASP 45 N 0.00 0.00 0.00 1.22 3.32 -1.22 -3.43 116.42 116.31 2ane h ASP 45 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ane h ASP 45 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2ane h ASP 45 CO 0.02 0.71 0.00 1.57 -1.72 0.00 0.00 179.24 179.82 2ane n HIS 46 N -3.40 0.00 -0.31 4.55 -0.00 -0.82 -4.96 115.22 110.29 2ane n HIS 46 Ca 0.00 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.25 2ane n HIS 46 Cb 0.77 0.00 0.30 0.00 -0.12 0.00 0.00 29.99 30.94 2ane n HIS 46 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 2ane n ASP 47 N 0.00 4.28 -0.38 0.26 3.85 -1.20 -4.92 116.55 118.43 2ane n ASP 47 Ca 0.00 -2.55 -0.05 0.00 -0.71 0.00 0.00 54.79 51.48 2ane n ASP 47 Cb 0.00 -0.58 -0.02 0.00 -1.35 0.00 0.00 41.12 39.17 2ane n ASP 47 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2ane n LYS 48 N 0.65 -0.93 -3.96 0.11 5.02 0.27 -4.94 118.16 114.39 2ane n LYS 48 Ca 0.21 0.55 -0.33 0.00 -2.02 0.00 0.00 58.31 56.72 2ane n LYS 48 Cb 0.86 -4.42 -0.05 0.00 -0.02 0.00 0.00 35.03 31.40 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 -1.90 3.31 0.04 1.97 1.02 -1.26 -0.51 119.74 122.42 2ane s LYS 49 Ca 0.00 -0.41 -0.01 0.00 0.02 0.00 0.00 55.97 55.57 2ane s LYS 49 Cb 0.00 -3.00 -0.03 0.00 -0.52 0.00 0.00 37.83 34.27 2ane s LYS 49 CO 0.00 0.65 -0.02 0.96 -0.92 0.00 0.00 175.35 176.02 2ane s ILE 50 N -1.34 0.20 -0.25 2.17 -0.00 -0.16 -4.66 121.20 117.16 2ane s ILE 50 Ca 0.28 -1.61 -0.09 0.00 -0.00 0.00 0.00 60.65 59.23 2ane s ILE 50 Cb -0.13 -1.27 -0.04 0.00 -0.00 0.00 0.00 42.46 41.03 2ane s ILE 50 CO 0.20 -0.89 0.12 -0.32 -0.00 0.00 0.00 174.94 174.04 2ane s MET 51 N -3.43 3.84 -0.23 0.37 1.75 0.49 -0.61 119.30 121.50 2ane s MET 51 Ca 0.02 -0.38 -0.20 0.00 -1.25 0.00 0.00 55.69 53.89 2ane s MET 51 Cb 0.04 -3.44 -0.03 0.00 2.84 0.00 0.00 34.83 34.25 2ane s MET 51 CO -0.08 -0.09 0.58 -0.51 -0.65 0.00 0.00 175.02 174.27 2ane s LEU 52 N 1.42 4.10 -0.04 4.11 1.43 -0.06 -0.69 118.68 128.95 2ane s LEU 52 Ca 0.06 0.70 0.02 0.00 -1.03 0.00 0.00 54.13 53.88 2ane s LEU 52 Cb -0.15 -2.79 0.01 0.00 0.03 0.00 0.00 46.19 43.29 2ane s LEU 52 CO 0.06 -0.28 -0.08 -0.69 0.23 0.00 0.00 176.35 175.59 2ane s VAL 53 N 2.08 0.77 0.48 -1.59 1.01 -0.84 -0.65 120.40 121.66 2ane s VAL 53 Ca 0.25 -0.31 -0.22 0.00 0.00 0.00 0.00 61.98 61.71 2ane s VAL 53 Cb -0.16 -0.72 -0.07 0.00 0.00 0.00 0.00 36.38 35.43 2ane s VAL 53 CO 0.09 0.26 1.16 0.00 0.00 0.00 0.00 175.10 176.62 2ane s ALA 54 N 0.52 2.91 0.08 5.51 0.00 -1.26 -0.85 121.76 128.67 2ane s ALA 54 Ca -0.08 0.92 -0.17 0.00 0.00 0.00 0.00 51.96 52.63 2ane s ALA 54 Cb -0.12 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 2ane s ALA 54 CO 0.01 -0.70 0.53 -0.65 0.00 0.00 0.00 175.76 174.95 2ane s GLN 55 N -2.82 4.08 0.71 0.00 -0.21 0.05 -1.54 119.66 119.94 2ane s GLN 55 Ca 0.66 0.60 -0.11 0.00 0.02 0.00 0.00 55.36 56.53 2ane s GLN 55 Cb -0.28 -3.16 0.02 0.00 1.00 0.00 0.00 33.01 30.59 2ane s GLN 55 CO 0.33 0.61 1.10 0.15 -2.12 0.00 0.00 175.29 175.37 2ane s LYS 56 N -1.32 2.79 0.27 2.91 1.02 -0.46 -4.86 119.74 120.09 2ane s LYS 56 Ca 0.30 0.43 -0.27 0.00 0.02 0.00 0.00 55.97 56.44 2ane s LYS 56 Cb -0.18 -2.02 -0.15 0.00 -0.52 0.00 0.00 37.83 34.96 2ane s LYS 56 CO 0.18 -1.07 0.72 -0.85 -0.92 0.00 0.00 175.35 173.41 2ane n GLU 57 N -3.02 0.64 -3.82 1.68 0.00 -1.26 -4.94 120.64 109.91 2ane n GLU 57 Ca 0.07 0.23 -0.06 0.00 0.00 0.00 0.00 57.16 57.39 2ane n GLU 57 Cb 0.57 -1.41 0.00 0.00 0.00 0.00 0.00 31.44 30.60 2ane n GLU 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ane s ALA 58 N -1.09 -1.24 0.00 -1.84 0.00 -1.26 -5.04 121.76 111.29 2ane s ALA 58 Ca 0.61 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2ane s ALA 58 Cb -0.79 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2ane s ALA 58 CO 0.58 -1.03 0.00 0.43 0.00 0.00 0.00 175.76 175.74 2ane n SER 59 N -0.87 1.09 -4.72 0.00 7.64 -1.26 -5.10 113.62 110.41 2ane n SER 59 Ca -0.06 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.52 2ane n SER 59 Cb 0.60 0.21 0.13 0.00 -1.01 0.00 0.00 64.21 64.14 2ane n SER 59 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2ane s THR 60 N -0.51 2.76 0.24 0.44 -4.23 -1.26 -4.94 115.64 108.15 2ane s THR 60 Ca 0.00 0.25 -0.05 0.00 -1.18 0.00 0.00 61.69 60.70 2ane s THR 60 Cb 0.00 -2.67 0.18 0.00 1.34 0.00 0.00 72.50 71.35 2ane s THR 60 CO 0.00 -0.32 1.82 0.44 -0.54 0.00 0.00 174.62 176.02 2ane h ASP 61 N -1.52 1.01 -5.13 3.99 3.32 -2.06 -3.45 116.42 112.57 2ane h ASP 61 Ca -0.48 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 56.34 2ane h ASP 61 Cb 1.27 -0.26 -0.15 0.00 0.22 0.00 0.00 39.33 40.41 2ane h ASP 61 CO 0.52 0.88 -0.39 -1.83 -1.72 0.00 0.00 179.24 176.70 2ane s GLU 62 N -5.54 0.78 0.65 3.56 -1.05 -1.26 -5.16 118.70 110.69 2ane s GLU 62 Ca -0.12 -0.87 -0.12 0.00 -0.15 0.00 0.00 54.97 53.72 2ane s GLU 62 Cb 0.16 0.32 -0.01 0.00 -0.44 0.00 0.00 34.13 34.15 2ane s GLU 62 CO 0.82 -0.24 1.05 -1.25 0.95 0.00 0.00 175.26 176.59 2ane s PRO 63 N -3.45 3.19 0.42 -4.83 0.04 -1.26 -5.08 135.00 124.03 2ane s PRO 63 Ca 0.02 0.95 0.03 0.00 0.04 0.00 0.00 61.00 62.04 2ane s PRO 63 Cb 0.03 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2ane s PRO 63 CO -0.09 -0.90 0.09 0.20 0.04 0.00 0.00 177.00 176.35 2ane s GLY 64 N -3.69 2.65 0.28 0.56 0.00 -1.26 -5.00 107.32 100.86 2ane s GLY 64 Ca 0.58 -1.15 0.14 0.00 0.00 0.00 0.00 44.72 44.29 2ane s GLY 64 CO 0.51 -1.91 1.34 3.33 0.00 0.00 0.00 173.10 176.37 2ane n VAL 65 N -0.97 0.86 0.46 1.40 0.24 -1.26 -0.93 118.33 118.13 2ane n VAL 65 Ca -0.08 0.71 0.10 0.00 -2.04 0.00 0.00 64.34 63.02 2ane n VAL 65 Cb 0.66 -1.71 0.14 0.00 -1.47 0.00 0.00 33.84 31.46 2ane n VAL 65 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2ane n ASN 66 N -2.01 2.95 -1.24 -1.34 3.02 -1.26 -4.59 115.26 110.78 2ane n ASN 66 Ca -0.01 -1.87 0.08 0.00 -0.03 0.00 0.00 54.58 52.75 2ane n ASN 66 Cb 0.21 -0.13 0.30 0.00 -0.61 0.00 0.00 39.78 39.55 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 1.16 4.39 -4.56 6.41 8.00 -0.10 -4.98 116.55 126.87 2ane n ASP 67 Ca 0.14 -2.75 -0.24 0.00 0.71 0.00 0.00 54.79 52.65 2ane n ASP 67 Cb 0.51 -0.55 -0.09 0.00 -0.02 0.00 0.00 41.12 40.98 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 -2.39 2.91 0.91 0.64 1.43 -1.26 -1.35 118.68 119.57 2ane s LEU 68 Ca 0.45 -0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 2ane s LEU 68 Cb 0.33 -1.43 0.14 0.00 0.03 0.00 0.00 46.19 45.26 2ane s LEU 68 CO 0.15 0.02 1.13 -0.36 0.23 0.00 0.00 176.35 177.52 2ane s PHE 69 N -2.38 2.49 -0.05 0.29 0.40 -0.59 -4.79 117.98 113.35 2ane s PHE 69 Ca 0.30 0.89 0.13 0.00 -0.60 0.00 0.00 56.93 57.65 2ane s PHE 69 Cb -0.06 -3.36 -0.19 0.00 0.51 0.00 0.00 43.02 39.92 2ane s PHE 69 CO 0.17 -2.38 0.81 1.15 0.70 0.00 0.00 175.22 175.67 2ane h THR 70 N -1.51 0.84 -3.41 0.64 2.02 -1.94 -3.46 112.91 106.09 2ane h THR 70 Ca -0.51 -2.57 -0.66 0.00 0.77 0.00 0.00 66.41 63.44 2ane h THR 70 Cb 1.33 2.36 -0.19 0.00 -1.74 0.00 0.00 68.15 69.91 2ane h THR 70 CO 0.61 0.48 -0.66 -0.69 0.37 0.00 0.00 175.52 175.64 2ane s VAL 71 N -2.71 3.99 0.00 3.16 1.01 -1.26 0.63 120.40 125.21 2ane s VAL 71 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2ane s VAL 71 Cb 0.08 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.77 2ane s VAL 71 CO 0.82 0.56 0.00 0.61 0.00 0.00 0.00 175.10 177.08 2ane n GLY 72 N 2.73 4.25 2.90 4.51 0.00 -0.21 -4.69 105.19 114.68 2ane n GLY 72 Ca -0.18 -1.71 -0.28 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.71 1.09 0.09 2.61 2.01 0.17 -1.44 115.64 118.47 2ane s THR 73 Ca 0.00 -0.51 -0.31 0.00 0.31 0.00 0.00 61.69 61.18 2ane s THR 73 Cb 0.00 -1.21 -0.07 0.00 0.01 0.00 0.00 72.50 71.23 2ane s THR 73 CO 0.00 0.22 1.29 -0.69 -0.69 0.00 0.00 174.62 174.75 2ane s VAL 74 N 1.66 3.68 0.10 3.82 1.01 -0.59 -0.88 120.40 129.20 2ane s VAL 74 Ca 0.02 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.23 2ane s VAL 74 Cb -0.14 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2ane s VAL 74 CO -0.08 0.09 -0.07 0.00 0.00 0.00 0.00 175.10 175.04 2ane s ALA 75 N 1.08 1.02 -0.02 5.51 0.00 0.23 -1.26 121.76 128.32 2ane s ALA 75 Ca 0.62 -1.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 2ane s ALA 75 Cb -0.33 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 2ane s ALA 75 CO 0.30 -0.20 0.08 -1.54 0.00 0.00 0.00 175.76 174.40 2ane s SER 76 N -2.97 5.69 -0.39 0.00 1.04 -0.25 -0.99 113.70 115.84 2ane s SER 76 Ca 0.11 0.17 -0.26 0.00 0.48 0.00 0.00 55.95 56.45 2ane s SER 76 Cb 0.04 -1.65 0.02 0.00 0.10 0.00 0.00 66.02 64.53 2ane s SER 76 CO -0.04 0.29 0.94 -0.63 0.98 0.00 0.00 173.24 174.78 2ane s ILE 77 N -1.16 4.54 0.03 -1.02 1.01 0.34 -1.88 121.20 123.06 2ane s ILE 77 Ca 0.22 1.11 0.04 0.00 0.00 0.00 0.00 60.65 62.02 2ane s ILE 77 Cb -0.12 -4.37 -0.25 0.00 0.01 0.00 0.00 42.46 37.74 2ane s ILE 77 CO 0.12 -0.62 0.93 -0.07 0.00 0.00 0.00 174.94 175.31 2ane h LEU 78 N 10.22 0.18 -7.00 2.97 3.38 -1.46 -3.48 115.31 120.11 2ane h LEU 78 Ca -0.23 -0.25 0.11 0.00 0.09 0.00 0.00 57.88 57.59 2ane h LEU 78 Cb 1.08 -0.06 -0.18 0.00 0.09 0.00 0.00 40.66 41.59 2ane h LEU 78 CO 1.00 1.21 0.52 0.00 0.09 0.00 0.00 178.44 181.26 2ane s GLN 79 N -2.64 0.73 0.14 1.13 -2.07 -1.21 -4.98 119.66 110.77 2ane s GLN 79 Ca -0.05 -0.16 0.03 0.00 -1.82 0.00 0.00 55.36 53.36 2ane s GLN 79 Cb 0.08 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.30 2ane s GLN 79 CO 0.84 -0.30 -0.07 -1.64 -1.32 0.00 0.00 175.29 172.80 2ane s MET 80 N -2.51 1.02 -0.29 9.60 -1.94 -1.26 -1.15 119.30 122.76 2ane s MET 80 Ca 0.03 -1.45 -0.15 0.00 -1.71 0.00 0.00 55.69 52.41 2ane s MET 80 Cb -0.01 -0.44 0.15 0.00 2.01 0.00 0.00 34.83 36.54 2ane s MET 80 CO -0.06 0.00 0.94 -1.17 -0.01 0.00 0.00 175.02 174.73 2ane s LEU 81 N -3.14 -0.60 -0.03 -0.03 2.96 -0.65 -4.98 118.68 112.21 2ane s LEU 81 Ca 0.17 0.90 -0.26 0.00 -0.22 0.00 0.00 54.13 54.72 2ane s LEU 81 Cb 0.04 1.79 -0.03 0.00 0.50 0.00 0.00 46.19 48.49 2ane s LEU 81 CO 0.00 -0.13 0.82 -0.54 -1.32 0.00 0.00 176.35 175.18 2ane s LYS 82 N 1.88 4.49 0.52 1.98 3.01 -1.26 -0.13 119.74 130.23 2ane s LYS 82 Ca -0.07 1.11 -0.04 0.00 -1.01 0.00 0.00 55.97 55.97 2ane s LYS 82 Cb -0.05 -3.45 -0.00 0.00 -1.01 0.00 0.00 37.83 33.32 2ane s LYS 82 CO -0.16 0.03 0.80 -0.51 0.51 0.00 0.00 175.35 176.01 2ane s LEU 83 N 0.85 3.45 0.37 3.17 1.43 0.83 -4.94 118.68 123.83 2ane s LEU 83 Ca 0.44 0.60 0.14 0.00 -1.03 0.00 0.00 54.13 54.27 2ane s LEU 83 Cb -0.19 -3.47 0.97 0.00 0.03 0.00 0.00 46.19 43.53 2ane s LEU 83 CO 0.22 -0.85 1.79 -0.65 0.23 0.00 0.00 176.35 177.09 2ane h PRO 84 N 0.09 0.51 -0.00 1.29 0.11 -1.97 0.17 132.00 132.21 2ane h PRO 84 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2ane h PRO 84 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2ane h PRO 84 CO 0.60 0.34 -0.01 -0.40 -0.21 0.00 0.00 178.00 178.32 2ane n ASP 85 N -4.66 0.05 0.00 -2.05 5.75 -1.26 -4.88 116.55 109.50 2ane n ASP 85 Ca 0.23 -0.59 0.00 0.00 -0.01 0.00 0.00 54.79 54.42 2ane n ASP 85 Cb 0.73 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 2ane n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ane n GLY 86 N 1.15 2.27 3.76 6.12 0.00 0.60 -5.06 105.19 114.03 2ane n GLY 86 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2ane n GLY 86 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ane s THR 87 N -2.62 2.63 -0.18 2.61 -1.32 -1.26 -4.60 115.64 110.91 2ane s THR 87 Ca 0.00 0.60 -0.13 0.00 -1.21 0.00 0.00 61.69 60.95 2ane s THR 87 Cb 0.00 -3.38 -0.05 0.00 -1.51 0.00 0.00 72.50 67.56 2ane s THR 87 CO 0.00 0.13 0.27 -0.69 -2.21 0.00 0.00 174.62 172.12 2ane s VAL 88 N -0.77 5.31 -0.30 5.08 1.01 0.43 -0.12 120.40 131.04 2ane s VAL 88 Ca 0.53 0.49 -0.10 0.00 0.00 0.00 0.00 61.98 62.89 2ane s VAL 88 Cb -0.41 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2ane s VAL 88 CO 0.51 0.37 0.17 -0.75 0.00 0.00 0.00 175.10 175.40 2ane s LYS 89 N 0.61 3.51 -0.13 2.72 2.20 0.81 0.38 119.74 129.85 2ane s LYS 89 Ca 0.15 -0.61 0.01 0.00 -0.36 0.00 0.00 55.97 55.16 2ane s LYS 89 Cb -0.13 -3.60 0.02 0.00 -1.51 0.00 0.00 37.83 32.61 2ane s LYS 89 CO 0.03 -0.36 -0.14 0.54 -0.36 0.00 0.00 175.35 175.07 2ane s VAL 90 N 1.66 1.49 -0.17 4.02 0.11 0.17 -1.63 120.40 126.05 2ane s VAL 90 Ca 0.06 -0.60 -0.26 0.00 -2.93 0.00 0.00 61.98 58.24 2ane s VAL 90 Cb -0.17 -1.39 -0.01 0.00 -1.53 0.00 0.00 36.38 33.28 2ane s VAL 90 CO 0.08 0.44 0.87 -0.22 -3.33 0.00 0.00 175.10 172.93 2ane s LEU 91 N 1.32 4.17 0.25 2.54 2.96 -0.30 -0.87 118.68 128.75 2ane s LEU 91 Ca 0.01 1.22 0.10 0.00 -0.22 0.00 0.00 54.13 55.23 2ane s LEU 91 Cb -0.14 -3.29 -0.05 0.00 0.50 0.00 0.00 46.19 43.22 2ane s LEU 91 CO -0.07 -0.43 -0.16 0.68 -1.32 0.00 0.00 176.35 175.05 2ane s VAL 92 N 2.24 2.10 -0.05 1.68 -7.23 -0.42 -1.14 120.40 117.59 2ane s VAL 92 Ca 0.40 -2.30 -0.01 0.00 -1.81 0.00 0.00 61.98 58.26 2ane s VAL 92 Cb -0.17 -2.23 0.03 0.00 0.56 0.00 0.00 36.38 34.57 2ane s VAL 92 CO 0.12 -0.46 0.02 -0.70 -0.31 0.00 0.00 175.10 173.78 2ane s GLU 93 N -3.59 0.30 0.38 4.82 2.12 -0.79 -1.62 118.70 120.33 2ane s GLU 93 Ca 0.27 0.19 -0.26 0.00 0.36 0.00 0.00 54.97 55.54 2ane s GLU 93 Cb -0.02 -0.70 -0.09 0.00 0.26 0.00 0.00 34.13 33.58 2ane s GLU 93 CO 0.12 -0.27 1.13 0.20 -0.54 0.00 0.00 175.26 175.90 2ane s GLY 94 N 1.81 2.87 0.01 -1.50 0.00 0.06 -1.09 107.32 109.47 2ane s GLY 94 Ca 0.01 0.90 -0.05 0.00 0.00 0.00 0.00 44.72 45.58 2ane s GLY 94 CO -0.04 1.41 -0.11 1.04 0.00 0.00 0.00 173.10 175.41 2ane n LEU 95 N 0.22 1.28 -3.50 0.66 4.77 -0.39 -1.19 117.00 118.85 2ane n LEU 95 Ca 0.04 0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 56.09 2ane n LEU 95 Cb 0.47 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2ane n LEU 95 CO 0.50 -0.53 0.57 0.00 -1.33 0.00 0.00 177.39 176.60 2ane s GLN 96 N -2.26 0.96 0.64 3.23 -2.07 -1.20 -4.54 119.66 114.42 2ane s GLN 96 Ca -0.09 -0.16 -0.14 0.00 -1.82 0.00 0.00 55.36 53.15 2ane s GLN 96 Cb 0.02 0.44 -0.01 0.00 -1.09 0.00 0.00 33.01 32.37 2ane s GLN 96 CO 0.13 -0.38 1.07 1.03 -1.32 0.00 0.00 175.29 175.82 2ane s ARG 97 N -2.57 3.04 0.00 9.60 0.52 -1.26 -1.54 118.95 126.74 2ane s ARG 97 Ca -0.00 1.19 -0.15 0.00 -0.52 0.00 0.00 55.73 56.24 2ane s ARG 97 Cb -0.01 -2.00 0.02 0.00 0.52 0.00 0.00 34.95 33.49 2ane s ARG 97 CO -0.05 -1.03 0.32 0.00 0.02 0.00 0.00 175.30 174.56 2ane s ALA 98 N -2.59 -0.77 -0.11 2.13 0.00 -0.52 -1.01 121.76 118.89 2ane s ALA 98 Ca 0.63 0.25 -0.08 0.00 0.00 0.00 0.00 51.96 52.76 2ane s ALA 98 Cb -0.17 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2ane s ALA 98 CO 0.43 -0.31 0.17 0.50 0.00 0.00 0.00 175.76 176.56 2ane s ARG 99 N -1.69 3.55 -0.26 0.00 3.52 0.03 -1.04 118.95 123.04 2ane s ARG 99 Ca -0.11 -0.06 -0.25 0.00 -0.13 0.00 0.00 55.73 55.17 2ane s ARG 99 Cb -0.04 -3.21 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 2ane s ARG 99 CO 0.02 0.74 0.88 0.42 -0.81 0.00 0.00 175.30 176.55 2ane s ILE 100 N -0.95 4.76 -0.12 4.11 -1.09 0.21 -0.20 121.20 127.92 2ane s ILE 100 Ca 0.16 1.56 -0.22 0.00 -2.23 0.00 0.00 60.65 59.92 2ane s ILE 100 Cb -0.13 -4.19 -0.20 0.00 -1.58 0.00 0.00 42.46 36.37 2ane s ILE 100 CO 0.05 -0.18 0.62 0.28 -1.23 0.00 0.00 174.94 174.48 2ane h SER 101 N 7.80 -0.01 -3.62 3.58 0.02 0.28 -3.47 113.55 118.13 2ane h SER 101 Ca -0.22 -0.74 -0.18 0.00 -0.84 0.00 0.00 61.79 59.80 2ane h SER 101 Cb 1.08 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.35 2ane h SER 101 CO 0.91 0.85 -0.46 0.00 -1.14 0.00 0.00 176.83 176.99 2ane s ALA 102 N -2.41 -0.56 -0.17 3.77 0.00 -1.21 -4.98 121.76 116.21 2ane s ALA 102 Ca -0.15 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.61 2ane s ALA 102 Cb -0.02 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2ane s ALA 102 CO 0.53 -0.15 -0.17 -1.17 0.00 0.00 0.00 175.76 174.81 2ane s LEU 103 N 0.59 2.34 0.18 0.00 1.98 -1.26 -1.23 118.68 121.28 2ane s LEU 103 Ca -0.04 -0.54 0.09 0.00 -2.89 0.00 0.00 54.13 50.74 2ane s LEU 103 Cb -0.05 -1.53 -0.04 0.00 0.66 0.00 0.00 46.19 45.22 2ane s LEU 103 CO -0.03 0.05 -0.18 -0.94 -1.89 0.00 0.00 176.35 173.36 2ane s SER 104 N 1.02 2.76 -0.64 3.68 1.04 0.16 -4.88 113.70 116.84 2ane s SER 104 Ca -0.02 -0.91 0.01 0.00 0.48 0.00 0.00 55.95 55.52 2ane s SER 104 Cb -0.15 -0.17 0.16 0.00 0.10 0.00 0.00 66.02 65.97 2ane s SER 104 CO -0.04 -0.05 0.44 -0.62 0.98 0.00 0.00 173.24 173.94 2ane s ASP 105 N -2.87 4.93 0.00 7.02 -1.08 -1.26 -0.61 116.67 122.81 2ane s ASP 105 Ca 0.18 -3.23 -0.00 0.00 -0.52 0.00 0.00 52.55 48.98 2ane s ASP 105 Cb -0.05 -1.75 -0.02 0.00 -1.46 0.00 0.00 42.92 39.65 2ane s ASP 105 CO 0.07 -0.24 1.57 0.59 0.52 0.00 0.00 175.17 177.69 2ane n ASN 106 N 2.89 3.90 0.00 -0.34 3.02 -1.21 -4.80 115.26 118.72 2ane n ASN 106 Ca 0.11 -2.05 0.00 0.00 -0.03 0.00 0.00 54.58 52.61 2ane n ASN 106 Cb 0.35 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 2ane n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ane n GLY 107 N 1.72 0.77 0.14 7.41 0.00 -1.26 -4.51 105.19 109.46 2ane n GLY 107 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 0.28 -2.27 1.61 3.07 -1.98 -3.50 114.58 111.79 2ane h GLU 108 Ca 0.00 -0.48 0.15 0.00 -0.50 0.00 0.00 59.36 58.53 2ane h GLU 108 Cb 0.00 0.18 -0.12 0.00 -0.84 0.00 0.00 28.75 27.97 2ane h GLU 108 CO 0.00 1.23 0.50 -3.38 -1.40 0.00 0.00 179.01 175.97 2ane s HIS 109 N -2.55 -0.23 0.48 4.33 -3.43 -1.26 -4.66 115.29 107.97 2ane s HIS 109 Ca -0.21 0.02 -0.22 0.00 -0.80 0.00 0.00 55.06 53.85 2ane s HIS 109 Cb 0.06 0.59 -0.07 0.00 -1.43 0.00 0.00 32.58 31.73 2ane s HIS 109 CO 0.78 -0.66 1.13 -0.06 -2.00 0.00 0.00 174.74 173.93 2ane s PHE 110 N -3.17 2.85 0.00 0.38 0.40 -1.26 -3.32 117.98 113.87 2ane s PHE 110 Ca 0.09 1.55 -0.09 0.00 -0.60 0.00 0.00 56.93 57.88 2ane s PHE 110 Cb -0.01 -3.30 0.01 0.00 0.51 0.00 0.00 43.02 40.23 2ane s PHE 110 CO -0.04 -1.40 0.18 0.45 0.70 0.00 0.00 175.22 175.12 2ane s SER 111 N -1.57 -0.02 0.06 1.36 0.15 0.22 -1.06 113.70 112.85 2ane s SER 111 Ca 0.66 -0.16 -0.12 0.00 0.70 0.00 0.00 55.95 57.03 2ane s SER 111 Cb -0.25 0.24 0.01 0.00 -1.71 0.00 0.00 66.02 64.31 2ane s SER 111 CO 0.30 -0.41 0.27 0.00 1.20 0.00 0.00 173.24 174.60 2ane s ALA 112 N -1.50 -0.56 -0.38 5.45 0.00 -0.27 -0.67 121.76 123.84 2ane s ALA 112 Ca -0.14 -0.18 -0.17 0.00 0.00 0.00 0.00 51.96 51.47 2ane s ALA 112 Cb -0.06 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.44 2ane s ALA 112 CO 0.02 -0.44 0.47 0.21 0.00 0.00 0.00 175.76 176.01 2ane s LYS 113 N -2.93 3.40 0.24 0.00 2.36 -0.36 -1.41 119.74 121.04 2ane s LYS 113 Ca -0.02 -0.43 0.07 0.00 -2.55 0.00 0.00 55.97 53.03 2ane s LYS 113 Cb 0.01 -3.87 -0.04 0.00 -1.05 0.00 0.00 37.83 32.88 2ane s LYS 113 CO -0.06 -0.73 0.20 0.00 1.55 0.00 0.00 175.35 176.31 2ane s ALA 114 N 2.28 3.60 -0.25 3.13 0.00 -1.26 0.97 121.76 130.23 2ane s ALA 114 Ca 0.16 -1.38 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 2ane s ALA 114 Cb -0.16 -1.33 0.08 0.00 0.00 0.00 0.00 23.12 21.70 2ane s ALA 114 CO 0.14 0.29 0.05 -2.00 0.00 0.00 0.00 175.76 174.24 2ane s GLU 115 N -3.74 0.79 0.20 0.00 2.12 0.72 -4.88 118.70 113.92 2ane s GLU 115 Ca 0.33 -0.76 -0.32 0.00 0.36 0.00 0.00 54.97 54.58 2ane s GLU 115 Cb -0.08 -2.10 -0.15 0.00 0.26 0.00 0.00 34.13 32.06 2ane s GLU 115 CO 0.25 -0.79 1.17 0.66 -0.54 0.00 0.00 175.26 176.02 2ane n TYR 116 N 4.92 1.42 0.61 5.30 0.53 -1.26 -0.79 117.16 127.89 2ane n TYR 116 Ca -0.06 0.65 0.07 0.00 -1.02 0.00 0.00 57.90 57.53 2ane n TYR 116 Cb 0.44 -2.30 0.06 0.00 -1.03 0.00 0.00 39.34 36.51 2ane n TYR 116 CO 0.00 0.00 0.00 1.47 -1.02 0.00 0.00 176.86 177.31