#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2daf s SER 2 N 0.00 -0.39 -0.23 1.61 1.04 -1.26 -5.08 113.70 109.40 2daf s SER 2 Ca 0.00 -0.24 -0.08 0.00 0.48 0.00 0.00 55.95 56.11 2daf s SER 2 Cb 0.00 0.59 -0.18 0.00 0.10 0.00 0.00 66.02 66.53 2daf s SER 2 CO 0.00 -1.03 -0.07 -1.20 0.98 0.00 0.00 173.24 171.93 2daf n SER 3 N -0.40 1.99 0.00 7.02 7.64 -1.26 -5.06 113.62 123.55 2daf n SER 3 Ca -0.10 0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2daf n SER 3 Cb 0.62 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2daf n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2daf n GLY 4 N 1.82 0.80 3.60 0.23 0.00 -1.26 -5.06 105.19 105.32 2daf n GLY 4 Ca -0.43 -0.60 -0.59 0.00 0.00 0.00 0.00 46.02 44.40 2daf n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2daf n SER 5 N 0.00 0.93 -4.34 1.61 2.88 -1.26 -4.94 113.62 108.51 2daf n SER 5 Ca 0.00 1.15 -0.33 0.00 -1.33 0.00 0.00 58.87 58.35 2daf n SER 5 Cb 0.00 -1.01 -0.15 0.00 -0.75 0.00 0.00 64.21 62.31 2daf n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2daf s SER 6 N 1.15 3.95 0.00 -3.46 0.15 -1.26 -5.07 113.70 109.16 2daf s SER 6 Ca 0.93 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.21 2daf s SER 6 Cb -1.21 -1.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.48 2daf s SER 6 CO 0.61 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.78 2daf n GLY 7 N 3.81 1.05 0.13 9.45 0.00 -1.26 -5.06 105.19 113.31 2daf n GLY 7 Ca -0.18 0.55 -0.20 0.00 0.00 0.00 0.00 46.02 46.19 2daf n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2daf n GLN 8 N 0.00 0.64 -3.86 1.61 10.64 -1.26 -4.87 117.38 120.28 2daf n GLN 8 Ca 0.00 0.18 -0.36 0.00 -1.83 0.00 0.00 57.00 54.99 2daf n GLN 8 Cb 0.00 -1.53 -0.13 0.00 -0.86 0.00 0.00 30.24 27.72 2daf n GLN 8 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2daf s GLU 9 N -2.52 2.42 -0.15 2.61 2.02 -1.26 -5.09 118.70 116.73 2daf s GLU 9 Ca -0.35 -1.31 -0.10 0.00 0.02 0.00 0.00 54.97 53.24 2daf s GLU 9 Cb 0.10 -3.28 -0.05 0.00 0.10 0.00 0.00 34.13 31.00 2daf s GLU 9 CO 0.59 -0.68 0.18 -1.12 0.02 0.00 0.00 175.26 174.25 2daf s SER 10 N 1.34 6.35 0.11 -0.19 0.01 -1.26 -5.10 113.70 114.97 2daf s SER 10 Ca -0.03 0.41 0.02 0.00 1.31 0.00 0.00 55.95 57.66 2daf s SER 10 Cb -0.20 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 2daf s SER 10 CO -0.01 0.26 0.23 0.68 0.41 0.00 0.00 173.24 174.82 2daf s VAL 11 N -0.25 5.24 -0.62 3.43 -7.23 -1.26 -5.06 120.40 114.66 2daf s VAL 11 Ca 0.13 -0.60 0.06 0.00 -1.81 0.00 0.00 61.98 59.76 2daf s VAL 11 Cb -0.12 -3.63 0.28 0.00 0.56 0.00 0.00 36.38 33.47 2daf s VAL 11 CO 0.02 0.01 0.82 -0.62 -0.31 0.00 0.00 175.10 175.02 2daf n GLU 12 N -0.14 2.78 -0.01 4.82 4.71 -1.26 -4.76 120.64 126.78 2daf n GLU 12 Ca -0.06 -4.74 -0.02 0.00 -0.01 0.00 0.00 57.16 52.33 2daf n GLU 12 Cb 0.53 -2.25 -0.01 0.00 -1.01 0.00 0.00 31.44 28.70 2daf n GLU 12 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2daf n ASP 13 N 0.49 1.20 -1.33 1.62 2.03 -1.26 -4.72 116.55 114.57 2daf n ASP 13 Ca 0.30 0.01 0.12 0.00 0.52 0.00 0.00 54.79 55.75 2daf n ASP 13 Cb 0.40 -0.05 0.30 0.00 -0.72 0.00 0.00 41.12 41.06 2daf n ASP 13 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2daf n SER 14 N -2.93 3.87 -4.67 1.67 7.64 -1.26 -3.93 113.62 114.01 2daf n SER 14 Ca -0.03 -2.00 -0.40 0.00 1.01 0.00 0.00 58.87 57.45 2daf n SER 14 Cb 0.53 -0.44 -0.06 0.00 -1.01 0.00 0.00 64.21 63.23 2daf n SER 14 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2daf s LEU 15 N -1.11 4.17 -0.12 -3.43 1.43 -1.26 -3.02 118.68 115.34 2daf s LEU 15 Ca 0.47 0.89 -0.01 0.00 -1.03 0.00 0.00 54.13 54.45 2daf s LEU 15 Cb 0.25 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.53 2daf s LEU 15 CO 0.33 -0.25 -0.08 0.00 0.23 0.00 0.00 176.35 176.59 2daf s ALA 16 N 1.72 2.86 -0.63 4.21 0.00 0.48 -1.86 121.76 128.54 2daf s ALA 16 Ca 0.30 -0.86 -0.26 0.00 0.00 0.00 0.00 51.96 51.14 2daf s ALA 16 Cb -0.16 -1.35 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 2daf s ALA 16 CO 0.11 0.32 2.13 0.99 0.00 0.00 0.00 175.76 179.31 2daf s THR 17 N 0.06 3.20 -0.41 0.00 2.01 0.20 -2.94 115.64 117.76 2daf s THR 17 Ca -0.02 0.03 -0.15 0.00 0.31 0.00 0.00 61.69 61.86 2daf s THR 17 Cb -0.14 -3.51 0.03 0.00 0.01 0.00 0.00 72.50 68.88 2daf s THR 17 CO 0.03 -0.49 0.30 -0.69 -0.69 0.00 0.00 174.62 173.08 2daf s VAL 18 N 11.00 5.20 0.31 3.82 1.01 -1.24 -1.21 120.40 139.29 2daf s VAL 18 Ca 0.81 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 61.81 2daf s VAL 18 Cb -0.13 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.24 2daf s VAL 18 CO 0.18 -0.33 0.97 -0.54 0.00 0.00 0.00 175.10 175.39 2daf s LYS 19 N 1.67 4.61 -0.11 2.72 1.02 -0.73 -3.56 119.74 125.35 2daf s LYS 19 Ca 0.05 1.43 0.01 0.00 0.02 0.00 0.00 55.97 57.48 2daf s LYS 19 Cb -0.19 -2.92 0.02 0.00 -0.52 0.00 0.00 37.83 34.22 2daf s LYS 19 CO 0.09 0.28 -0.13 0.08 -0.92 0.00 0.00 175.35 174.75 2daf s VAL 20 N -1.48 1.38 -0.13 3.17 1.01 0.95 -2.07 120.40 123.23 2daf s VAL 20 Ca 0.48 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.94 2daf s VAL 20 Cb -0.22 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.88 2daf s VAL 20 CO 0.28 0.42 -0.22 -0.69 0.00 0.00 0.00 175.10 174.88 2daf s VAL 21 N 1.15 2.11 -0.02 2.92 1.01 -1.10 0.21 120.40 126.69 2daf s VAL 21 Ca -0.04 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 2daf s VAL 21 Cb -0.14 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2daf s VAL 21 CO -0.03 0.55 1.09 -0.76 0.00 0.00 0.00 175.10 175.94 2daf s LEU 22 N 0.65 4.33 -0.03 3.92 1.43 -0.65 -2.20 118.68 126.12 2daf s LEU 22 Ca -0.11 1.76 -0.18 0.00 -1.03 0.00 0.00 54.13 54.57 2daf s LEU 22 Cb -0.16 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.38 2daf s LEU 22 CO 0.02 -0.42 0.76 0.40 0.23 0.00 0.00 176.35 177.34 2daf h ILE 23 N 4.83 0.17 -0.20 -0.59 1.08 -1.79 0.58 117.51 121.59 2daf h ILE 23 Ca -0.38 -0.64 -0.13 0.00 -0.39 0.00 0.00 64.86 63.32 2daf h ILE 23 Cb 1.19 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 2daf h ILE 23 CO 0.81 0.04 -0.44 1.55 -0.69 0.00 0.00 178.15 179.43 2daf h PRO 24 N -1.09 0.50 0.00 2.37 0.13 -1.92 -3.33 132.00 128.66 2daf h PRO 24 Ca -0.06 -0.26 -0.08 0.00 -0.87 0.00 0.00 66.00 64.73 2daf h PRO 24 Cb 0.48 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 2daf h PRO 24 CO 0.09 0.84 -0.52 0.28 -0.23 0.00 0.00 178.00 178.46 2daf h VAL 25 N 0.41 0.89 0.00 1.56 2.07 -1.82 -3.49 116.25 115.86 2daf h VAL 25 Ca 0.03 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.71 2daf h VAL 25 Cb 0.93 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2daf h VAL 25 CO 0.08 0.30 0.00 0.61 0.02 0.00 0.00 177.57 178.58 2daf n GLY 26 N 1.58 0.74 3.80 2.17 0.00 0.20 -5.00 105.19 108.69 2daf n GLY 26 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 2daf n GLY 26 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2daf s GLN 27 N -0.66 4.39 -0.00 1.61 0.74 -1.26 -4.71 119.66 119.77 2daf s GLN 27 Ca 0.00 1.04 -0.12 0.00 0.05 0.00 0.00 55.36 56.32 2daf s GLN 27 Cb 0.00 -2.93 -0.05 0.00 1.10 0.00 0.00 33.01 31.12 2daf s GLN 27 CO 0.00 0.40 0.36 -1.21 -0.55 0.00 0.00 175.29 174.29 2daf s GLU 28 N -1.83 3.80 0.00 1.67 2.02 -1.26 -1.64 118.70 121.46 2daf s GLU 28 Ca 0.43 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.69 2daf s GLU 28 Cb -0.18 -3.17 -0.00 0.00 0.10 0.00 0.00 34.13 30.87 2daf s GLU 28 CO 0.23 0.68 -0.01 0.42 0.02 0.00 0.00 175.26 176.59 2daf s ILE 29 N -1.14 0.08 -0.08 -1.63 1.01 0.13 -5.01 121.20 114.57 2daf s ILE 29 Ca 0.24 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.70 2daf s ILE 29 Cb -0.15 -0.11 0.00 0.00 0.01 0.00 0.00 42.46 42.21 2daf s ILE 29 CO 0.13 -0.09 -0.19 -0.69 0.00 0.00 0.00 174.94 174.09 2daf s VAL 30 N -0.32 1.70 -0.18 2.92 1.01 -1.26 -0.04 120.40 124.23 2daf s VAL 30 Ca -0.03 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 2daf s VAL 30 Cb -0.02 -1.48 0.06 0.00 0.00 0.00 0.00 36.38 34.93 2daf s VAL 30 CO -0.00 0.48 0.44 -0.51 0.00 0.00 0.00 175.10 175.51 2daf s ILE 31 N 0.42 -0.02 0.03 2.22 2.07 -1.23 -5.03 121.20 119.65 2daf s ILE 31 Ca -0.16 0.06 -0.30 0.00 -1.41 0.00 0.00 60.65 58.84 2daf s ILE 31 Cb -0.17 -0.65 -0.06 0.00 0.13 0.00 0.00 42.46 41.71 2daf s ILE 31 CO 0.07 0.03 1.42 -2.16 -1.91 0.00 0.00 174.94 172.38 2daf s PRO 32 N 1.15 4.28 0.26 3.50 0.04 -1.26 -3.63 135.00 139.34 2daf s PRO 32 Ca -0.07 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.05 2daf s PRO 32 Cb -0.07 -3.50 -0.05 0.00 0.04 0.00 0.00 34.50 30.91 2daf s PRO 32 CO -0.10 -0.56 -0.06 0.12 0.04 0.00 0.00 177.00 176.44 2daf s PHE 33 N 2.13 1.83 -0.19 0.56 5.36 -1.15 -4.96 117.98 121.55 2daf s PHE 33 Ca 0.65 -0.73 -0.10 0.00 -0.96 0.00 0.00 56.93 55.79 2daf s PHE 33 Cb -0.33 -1.02 -0.05 0.00 -0.34 0.00 0.00 43.02 41.27 2daf s PHE 33 CO 0.28 0.22 0.13 0.15 -1.46 0.00 0.00 175.22 174.53 2daf s LYS 34 N -3.75 4.10 0.50 10.12 -0.14 -1.26 -0.39 119.74 128.91 2daf s LYS 34 Ca 0.28 -0.22 0.29 0.00 -1.36 0.00 0.00 55.97 54.96 2daf s LYS 34 Cb 0.04 -3.38 0.95 0.00 -1.68 0.00 0.00 37.83 33.76 2daf s LYS 34 CO 0.10 0.35 1.83 -0.39 -0.76 0.00 0.00 175.35 176.49 2daf h VAL 35 N 4.61 0.08 -0.61 3.17 -1.51 -1.90 -2.85 116.25 117.24 2daf h VAL 35 Ca -0.42 -0.78 -0.08 0.00 -1.23 0.00 0.00 66.70 64.19 2daf h VAL 35 Cb 1.16 1.72 -0.05 0.00 -2.13 0.00 0.00 31.29 31.99 2daf h VAL 35 CO 0.74 0.04 0.10 -0.90 -1.23 0.00 0.00 177.57 176.32 2daf n ASP 36 N -3.13 5.16 -3.96 4.19 5.68 -1.26 -2.40 116.55 120.84 2daf n ASP 36 Ca 0.02 -2.98 -0.23 0.00 -0.50 0.00 0.00 54.79 51.10 2daf n ASP 36 Cb 0.40 -0.70 -0.17 0.00 -1.14 0.00 0.00 41.12 39.52 2daf n ASP 36 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2daf s THR 37 N -2.73 0.89 0.81 2.12 2.01 -1.08 -5.07 115.64 112.60 2daf s THR 37 Ca 0.51 -0.32 -0.17 0.00 0.31 0.00 0.00 61.69 62.03 2daf s THR 37 Cb 0.40 -0.85 -0.11 0.00 0.01 0.00 0.00 72.50 71.95 2daf s THR 37 CO 0.14 0.31 -0.23 2.30 -0.69 0.00 0.00 174.62 176.44 2daf n ILE 38 N 4.01 0.34 0.18 1.82 -5.35 -1.26 -4.54 119.36 114.56 2daf n ILE 38 Ca -0.23 -0.44 0.04 0.00 -0.27 0.00 0.00 62.75 61.85 2daf n ILE 38 Cb 0.51 -0.21 0.32 0.00 -1.74 0.00 0.00 39.64 38.52 2daf n ILE 38 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2daf h LEU 39 N -0.69 0.00 -0.87 7.28 3.38 -1.52 -3.28 115.31 119.60 2daf h LEU 39 Ca -0.43 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.63 2daf h LEU 39 Cb 1.35 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.98 2daf h LEU 39 CO 0.33 0.41 -0.54 0.50 0.09 0.00 0.00 178.44 179.23 2daf h LYS 40 N 0.00 -0.08 -0.66 1.13 1.63 -1.86 -0.75 116.57 115.97 2daf h LYS 40 Ca -0.00 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.86 2daf h LYS 40 Cb 0.89 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 32.45 2daf h LYS 40 CO 0.05 -0.05 -0.39 0.66 -3.45 0.00 0.00 179.45 176.27 2daf n TYR 41 N -5.31 -0.29 -0.38 1.91 4.02 -1.24 0.15 117.16 116.02 2daf n TYR 41 Ca 0.02 0.83 -0.00 0.00 -0.01 0.00 0.00 57.90 58.74 2daf n TYR 41 Cb 0.30 -0.54 0.13 0.00 -0.02 0.00 0.00 39.34 39.21 2daf n TYR 41 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2daf h LEU 42 N 0.00 1.12 0.44 7.72 5.85 -1.42 -2.23 115.31 126.78 2daf h LEU 42 Ca 0.11 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2daf h LEU 42 Cb 0.27 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2daf h LEU 42 CO -0.62 0.78 -0.37 0.50 -0.34 0.00 0.00 178.44 178.39 2daf h LYS 43 N 1.30 -0.76 -0.81 1.25 3.64 0.26 -1.94 116.57 119.52 2daf h LYS 43 Ca 0.39 0.05 0.23 0.00 -1.27 0.00 0.00 60.65 60.05 2daf h LYS 43 Cb -0.05 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 2daf h LYS 43 CO -0.11 -0.50 0.58 0.22 -2.27 0.00 0.00 179.45 177.36 2daf h ASP 44 N -0.78 0.03 -0.99 4.20 3.58 -0.70 0.16 116.42 121.91 2daf h ASP 44 Ca -0.06 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.41 2daf h ASP 44 Cb 0.66 -0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.66 2daf h ASP 44 CO -0.01 0.01 0.66 -0.74 -2.88 0.00 0.00 179.24 176.28 2daf h HIS 45 N 0.03 1.24 0.07 0.28 2.76 -0.73 -1.71 115.15 117.09 2daf h HIS 45 Ca 0.39 0.03 -0.30 0.00 -2.20 0.00 0.00 60.37 58.29 2daf h HIS 45 Cb 1.51 -0.42 -0.02 0.00 1.55 0.00 0.00 27.41 30.03 2daf h HIS 45 CO -0.00 0.77 -1.55 0.74 -1.30 0.00 0.00 177.93 176.60 2daf h PHE 46 N 1.33 0.29 -0.77 5.26 -1.00 -0.48 -3.08 116.94 118.49 2daf h PHE 46 Ca 0.37 -0.21 0.04 0.00 2.81 0.00 0.00 57.97 60.98 2daf h PHE 46 Cb -0.14 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 39.37 2daf h PHE 46 CO -0.00 1.28 0.51 0.66 -1.61 0.00 0.00 178.31 179.14 2daf h SER 47 N 0.04 0.79 0.04 2.17 4.64 -0.79 0.12 113.55 120.56 2daf h SER 47 Ca -0.24 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2daf h SER 47 Cb 1.98 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.90 2daf h SER 47 CO 0.13 0.53 -0.02 1.12 -0.87 0.00 0.00 176.83 177.72 2daf h HIS 48 N 0.91 -0.05 0.33 4.77 2.07 -1.44 -2.03 115.15 119.70 2daf h HIS 48 Ca 0.32 -0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.83 2daf h HIS 48 Cb 0.11 0.02 -0.02 0.00 2.57 0.00 0.00 27.41 30.09 2daf h HIS 48 CO -0.00 0.44 -0.40 1.25 -3.07 0.00 0.00 177.93 176.16 2daf h LEU 49 N -0.97 -1.11 -1.22 6.12 7.12 -1.43 -2.29 115.31 121.52 2daf h LEU 49 Ca -0.01 0.10 0.14 0.00 0.13 0.00 0.00 57.88 58.24 2daf h LEU 49 Cb 0.52 0.38 -0.07 0.00 -0.53 0.00 0.00 40.66 40.95 2daf h LEU 49 CO 0.01 -0.50 0.59 -0.07 -0.13 0.00 0.00 178.44 178.34 2daf h LEU 50 N -0.74 0.72 0.00 2.25 3.38 -0.94 -3.46 115.31 116.52 2daf h LEU 50 Ca -0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2daf h LEU 50 Cb 0.66 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2daf h LEU 50 CO -0.09 0.37 0.00 0.61 0.09 0.00 0.00 178.44 179.42 2daf n GLY 51 N -1.41 0.48 3.88 0.83 0.00 -0.86 -4.85 105.19 103.25 2daf n GLY 51 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2daf n GLY 51 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2daf s ILE 52 N -2.00 5.27 0.78 -0.61 -4.36 -0.80 -4.94 121.20 114.53 2daf s ILE 52 Ca 0.00 -0.31 -0.11 0.00 -0.26 0.00 0.00 60.65 59.98 2daf s ILE 52 Cb 0.00 -3.50 0.06 0.00 1.25 0.00 0.00 42.46 40.28 2daf s ILE 52 CO 0.00 0.26 1.09 -2.16 0.24 0.00 0.00 174.94 174.37 2daf s PRO 53 N -2.12 2.19 0.00 0.37 0.04 -1.26 -4.16 135.00 130.05 2daf s PRO 53 Ca 0.29 1.15 0.05 0.00 0.04 0.00 0.00 61.00 62.53 2daf s PRO 53 Cb -0.13 -1.89 0.18 0.00 0.04 0.00 0.00 34.50 32.70 2daf s PRO 53 CO 0.21 -1.68 1.13 -2.39 0.04 0.00 0.00 177.00 174.31 2daf n HIS 54 N -3.55 0.14 1.12 0.56 1.44 -1.26 -3.36 115.22 110.31 2daf n HIS 54 Ca 0.09 -0.07 0.13 0.00 -2.01 0.00 0.00 57.72 55.86 2daf n HIS 54 Cb 0.53 0.00 0.40 0.00 0.12 0.00 0.00 29.99 31.04 2daf n HIS 54 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2daf n SER 55 N -0.20 0.52 0.00 4.39 2.88 -1.26 -4.08 113.62 115.87 2daf n SER 55 Ca 0.05 -0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 2daf n SER 55 Cb 0.10 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 2daf n SER 55 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2daf n VAL 56 N -1.23 0.00 -2.96 2.46 0.24 -1.21 -5.00 118.33 110.63 2daf n VAL 56 Ca 0.09 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.98 2daf n VAL 56 Cb 0.33 -0.18 -0.04 0.00 -1.47 0.00 0.00 33.84 32.47 2daf n VAL 56 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2daf s LEU 57 N -2.86 4.37 0.07 1.34 2.96 -1.23 -0.12 118.68 123.20 2daf s LEU 57 Ca 0.00 1.36 0.02 0.00 -0.22 0.00 0.00 54.13 55.30 2daf s LEU 57 Cb 0.00 -3.23 -0.03 0.00 0.50 0.00 0.00 46.19 43.43 2daf s LEU 57 CO 0.00 -0.11 -0.08 -1.10 -1.32 0.00 0.00 176.35 173.75 2daf s GLN 58 N 0.59 0.69 0.05 1.98 -1.52 -0.66 -4.86 119.66 115.94 2daf s GLN 58 Ca 0.41 -1.04 0.02 0.00 -1.95 0.00 0.00 55.36 52.81 2daf s GLN 58 Cb -0.19 -0.30 -0.04 0.00 -0.22 0.00 0.00 33.01 32.25 2daf s GLN 58 CO 0.22 0.03 0.05 0.42 -0.25 0.00 0.00 175.29 175.76 2daf s ILE 59 N -2.38 4.42 -0.09 1.08 1.01 -1.26 -2.98 121.20 121.01 2daf s ILE 59 Ca 0.01 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.96 2daf s ILE 59 Cb -0.03 -3.08 0.02 0.00 0.01 0.00 0.00 42.46 39.37 2daf s ILE 59 CO -0.02 0.21 -0.12 -0.60 0.00 0.00 0.00 174.94 174.41 2daf s ARG 60 N -2.12 1.79 -0.02 2.79 3.52 -0.65 -3.36 118.95 120.91 2daf s ARG 60 Ca 0.26 -0.41 0.01 0.00 -0.13 0.00 0.00 55.73 55.46 2daf s ARG 60 Cb -0.12 -1.57 0.01 0.00 -1.56 0.00 0.00 34.95 31.71 2daf s ARG 60 CO 0.18 -0.07 -0.03 -0.47 -0.81 0.00 0.00 175.30 174.10 2daf s TYR 61 N 1.00 0.44 -1.70 5.12 5.04 -0.21 -1.54 117.35 125.49 2daf s TYR 61 Ca -0.08 -0.08 0.00 0.00 -2.44 0.00 0.00 57.07 54.48 2daf s TYR 61 Cb -0.15 -0.36 0.00 0.00 0.35 0.00 0.00 41.96 41.80 2daf s TYR 61 CO -0.01 -0.07 0.00 0.45 -1.34 0.00 0.00 175.55 174.59 2daf n SER 62 N 3.44 -5.01 0.00 4.32 2.88 -1.26 -0.16 113.62 117.82 2daf n SER 62 Ca -0.19 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2daf n SER 62 Cb 0.55 -4.32 0.00 0.00 -0.75 0.00 0.00 64.21 59.69 2daf n SER 62 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2daf n GLY 63 N -0.67 0.43 3.25 0.46 0.00 -1.26 -5.01 105.19 102.39 2daf n GLY 63 Ca -0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 2daf n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2daf s LYS 64 N -0.36 1.26 0.30 1.61 -2.85 0.78 -5.13 119.74 115.34 2daf s LYS 64 Ca 0.00 -1.01 -0.27 0.00 -1.00 0.00 0.00 55.97 53.69 2daf s LYS 64 Cb 0.00 -1.42 -0.09 0.00 -2.06 0.00 0.00 37.83 34.26 2daf s LYS 64 CO 0.00 0.35 0.98 0.42 0.10 0.00 0.00 175.35 177.20 2daf s ILE 65 N -0.94 3.99 0.20 3.79 -1.09 -1.26 -1.05 121.20 124.85 2daf s ILE 65 Ca 0.07 1.79 0.11 0.00 -2.23 0.00 0.00 60.65 60.38 2daf s ILE 65 Cb -0.09 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.69 2daf s ILE 65 CO 0.03 0.27 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.06 2daf s LEU 66 N -1.78 2.67 0.26 2.97 1.43 -1.21 -4.94 118.68 118.08 2daf s LEU 66 Ca 0.48 -0.78 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 2daf s LEU 66 Cb -0.23 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 2daf s LEU 66 CO 0.29 0.10 0.40 -0.75 0.23 0.00 0.00 176.35 176.62 2daf s LYS 67 N -2.88 3.44 0.04 1.70 2.20 -1.26 -4.67 119.74 118.31 2daf s LYS 67 Ca 0.24 -0.69 -0.19 0.00 -0.36 0.00 0.00 55.97 54.96 2daf s LYS 67 Cb -0.08 -2.85 -0.15 0.00 -1.51 0.00 0.00 37.83 33.24 2daf s LYS 67 CO 0.13 0.37 1.30 -2.95 -0.36 0.00 0.00 175.35 173.84 2daf h ASN 68 N 1.09 0.48 -0.05 1.43 -1.07 -2.00 -3.03 115.58 112.44 2daf h ASN 68 Ca -0.51 -0.54 0.01 0.00 0.07 0.00 0.00 56.30 55.32 2daf h ASN 68 Cb 1.23 -0.14 -0.00 0.00 -2.07 0.00 0.00 38.32 37.34 2daf h ASN 68 CO 0.61 0.94 0.05 0.78 0.07 0.00 0.00 177.43 179.88 2daf h ASN 69 N 0.05 0.00 -3.15 6.14 4.21 -1.98 -3.15 115.58 117.70 2daf h ASN 69 Ca 0.01 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.18 2daf h ASN 69 Cb 0.85 0.00 0.16 0.00 -1.12 0.00 0.00 38.32 38.21 2daf h ASN 69 CO 0.06 0.00 0.14 -0.62 -1.29 0.00 0.00 177.43 175.72 2daf n GLU 70 N -3.85 -2.51 -4.00 0.81 1.02 -1.14 -4.89 120.64 106.08 2daf n GLU 70 Ca -0.02 -1.51 -0.09 0.00 -0.02 0.00 0.00 57.16 55.52 2daf n GLU 70 Cb 0.15 -1.34 -0.08 0.00 -0.02 0.00 0.00 31.44 30.15 2daf n GLU 70 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2daf s THR 71 N -2.80 0.10 0.24 2.62 2.01 -1.26 -3.27 115.64 113.28 2daf s THR 71 Ca 0.60 -1.51 -0.01 0.00 0.31 0.00 0.00 61.69 61.09 2daf s THR 71 Cb -0.05 -1.78 0.03 0.00 0.01 0.00 0.00 72.50 70.70 2daf s THR 71 CO 0.45 -0.44 1.64 -0.07 -0.69 0.00 0.00 174.62 175.51 2daf h LEU 72 N 2.70 0.60 -1.00 4.42 -0.00 -1.80 -2.49 115.31 117.74 2daf h LEU 72 Ca -0.33 -0.24 0.00 0.00 -0.00 0.00 0.00 57.88 57.31 2daf h LEU 72 Cb 1.21 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 2daf h LEU 72 CO 0.53 0.88 0.00 -0.37 -0.00 0.00 0.00 178.44 179.49 2daf h VAL 73 N 0.50 0.00 0.00 1.22 -1.51 -1.65 -2.03 116.25 112.78 2daf h VAL 73 Ca 0.06 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 2daf h VAL 73 Cb 0.80 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 2daf h VAL 73 CO 0.07 0.00 -0.33 1.56 -1.23 0.00 0.00 177.57 177.63 2daf h GLN 74 N 0.00 0.00 0.00 5.19 4.20 -1.75 -3.27 115.11 119.48 2daf h GLN 74 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2daf h GLN 74 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2daf h GLN 74 CO 0.00 0.00 -1.11 0.72 -0.67 0.00 0.00 178.83 177.77 2daf n HIS 75 N -2.50 0.00 0.00 2.96 8.25 -0.82 -5.00 115.22 118.12 2daf n HIS 75 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2daf n HIS 75 Cb 0.48 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.49 2daf n HIS 75 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2daf n GLY 76 N 1.43 0.75 2.94 -1.41 0.00 -0.95 -5.13 105.19 102.82 2daf n GLY 76 Ca 0.02 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 2daf n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2daf s VAL 77 N -1.40 1.17 0.37 1.61 1.01 -0.88 -4.99 120.40 117.29 2daf s VAL 77 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 2daf s VAL 77 Cb 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2daf s VAL 77 CO 0.00 0.39 0.64 -1.59 0.00 0.00 0.00 175.10 174.54 2daf s LYS 78 N 1.58 3.58 0.49 2.72 -2.85 -1.26 -4.27 119.74 119.73 2daf s LYS 78 Ca 0.04 0.02 -0.22 0.00 -1.00 0.00 0.00 55.97 54.80 2daf s LYS 78 Cb -0.13 -2.55 -0.07 0.00 -2.06 0.00 0.00 37.83 33.02 2daf s LYS 78 CO -0.08 0.06 1.15 -1.25 0.10 0.00 0.00 175.35 175.33 2daf s PRO 79 N -4.11 3.62 -0.98 1.78 0.04 -1.26 -3.74 135.00 130.34 2daf s PRO 79 Ca 0.45 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 63.19 2daf s PRO 79 Cb -0.10 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.17 2daf s PRO 79 CO 0.36 -0.66 0.83 1.04 0.04 0.00 0.00 177.00 178.61 2daf n GLN 80 N -0.77 -5.49 -4.30 4.56 6.02 -0.78 -4.93 117.38 111.68 2daf n GLN 80 Ca 0.09 0.67 -0.16 0.00 -0.01 0.00 0.00 57.00 57.58 2daf n GLN 80 Cb 0.49 -5.16 -0.10 0.00 1.02 0.00 0.00 30.24 26.48 2daf n GLN 80 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2daf s GLU 81 N -5.31 1.24 -0.15 -1.09 -1.05 -1.25 -4.90 118.70 106.19 2daf s GLU 81 Ca 0.11 -1.59 -0.05 0.00 -0.15 0.00 0.00 54.97 53.29 2daf s GLU 81 Cb -0.05 -0.68 -0.03 0.00 -0.44 0.00 0.00 34.13 32.93 2daf s GLU 81 CO 0.58 -0.00 0.02 0.42 0.95 0.00 0.00 175.26 177.22 2daf s ILE 82 N -3.34 4.41 0.20 1.83 1.01 -1.26 0.60 121.20 124.66 2daf s ILE 82 Ca 0.23 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.72 2daf s ILE 82 Cb 0.04 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.52 2daf s ILE 82 CO 0.06 0.50 0.05 0.68 0.00 0.00 0.00 174.94 176.23 2daf s VAL 83 N 0.08 0.55 -0.16 2.92 -7.23 -0.35 -4.99 120.40 111.22 2daf s VAL 83 Ca 0.03 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 2daf s VAL 83 Cb -0.13 -2.30 0.04 0.00 0.56 0.00 0.00 36.38 34.55 2daf s VAL 83 CO 0.02 -0.29 -0.03 -1.58 -0.31 0.00 0.00 175.10 172.91 2daf s GLN 84 N -3.98 1.18 0.31 4.82 0.74 -1.26 -1.78 119.66 119.69 2daf s GLN 84 Ca 0.29 -0.43 0.09 0.00 0.05 0.00 0.00 55.36 55.37 2daf s GLN 84 Cb 0.07 -1.90 -0.06 0.00 1.10 0.00 0.00 33.01 32.22 2daf s GLN 84 CO 0.07 -0.46 -0.10 0.14 -0.55 0.00 0.00 175.29 174.39 2daf s VAL 85 N 1.71 2.07 0.15 1.34 -7.23 -0.88 -4.67 120.40 112.90 2daf s VAL 85 Ca 0.01 -2.21 0.10 0.00 -1.81 0.00 0.00 61.98 58.07 2daf s VAL 85 Cb -0.15 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 2daf s VAL 85 CO -0.07 -0.29 -0.24 -1.61 -0.31 0.00 0.00 175.10 172.58 2daf s GLU 86 N -3.63 1.39 -0.01 4.82 8.01 -0.59 -2.70 118.70 125.98 2daf s GLU 86 Ca 0.31 -1.39 0.04 0.00 0.01 0.00 0.00 54.97 53.93 2daf s GLU 86 Cb 0.01 -1.74 -0.01 0.00 -4.31 0.00 0.00 34.13 28.09 2daf s GLU 86 CO 0.14 0.39 -0.12 0.42 0.01 0.00 0.00 175.26 176.11 2daf s ILE 87 N -1.41 0.91 0.22 -1.63 1.01 -0.93 -1.63 121.20 117.74 2daf s ILE 87 Ca 0.15 -0.49 -0.23 0.00 0.00 0.00 0.00 60.65 60.08 2daf s ILE 87 Cb -0.09 -0.76 0.04 0.00 0.01 0.00 0.00 42.46 41.66 2daf s ILE 87 CO 0.07 0.26 0.82 0.72 0.00 0.00 0.00 174.94 176.81 2daf s PHE 88 N -0.25 -0.18 -0.19 3.97 -0.12 -1.16 -2.18 117.98 117.87 2daf s PHE 88 Ca 0.04 -0.20 -0.02 0.00 -0.05 0.00 0.00 56.93 56.70 2daf s PHE 88 Cb -0.05 0.67 -0.00 0.00 -0.63 0.00 0.00 43.02 43.01 2daf s PHE 88 CO -0.00 -1.04 -0.09 0.45 -0.05 0.00 0.00 175.22 174.48 2daf s SER 89 N -2.92 4.00 0.36 1.98 0.15 -1.26 -1.65 113.70 114.36 2daf s SER 89 Ca 0.11 -0.43 0.16 0.00 0.70 0.00 0.00 55.95 56.49 2daf s SER 89 Cb -0.04 -1.66 1.07 0.00 -1.71 0.00 0.00 66.02 63.68 2daf s SER 89 CO 0.04 0.03 1.70 0.71 1.20 0.00 0.00 173.24 176.92 2daf h THR 90 N 5.68 0.41 -2.96 6.45 1.35 -0.89 -3.16 112.91 119.79 2daf h THR 90 Ca -0.39 -0.14 -0.61 0.00 -0.55 0.00 0.00 66.41 64.72 2daf h THR 90 Cb 1.17 -0.03 -0.40 0.00 -1.73 0.00 0.00 68.15 67.16 2daf h THR 90 CO 0.60 0.07 -0.72 0.21 -0.25 0.00 0.00 175.52 175.43 2daf s ASN 91 N -5.03 3.66 0.10 5.36 2.47 -1.26 -4.94 114.94 115.30 2daf s ASN 91 Ca -0.10 -3.01 0.18 0.00 0.42 0.00 0.00 52.86 50.35 2daf s ASN 91 Cb 0.28 -1.15 0.76 0.00 -1.45 0.00 0.00 41.25 39.69 2daf s ASN 91 CO 0.80 -0.21 1.56 -0.81 -3.72 0.00 0.00 177.10 174.72 2daf n PRO 92 N 3.04 0.08 0.11 0.43 -0.04 -1.19 -2.17 135.00 135.25 2daf n PRO 92 Ca 0.14 0.33 -0.04 0.00 -0.04 0.00 0.00 63.50 63.89 2daf n PRO 92 Cb 0.36 -1.65 0.11 0.00 -0.04 0.00 0.00 33.50 32.28 2daf n PRO 92 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2daf h ASP 93 N 0.00 0.10 0.00 3.54 3.32 -1.92 -2.92 116.42 118.54 2daf h ASP 93 Ca 0.00 -0.07 -0.37 0.00 0.02 0.00 0.00 57.03 56.61 2daf h ASP 93 Cb 0.29 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 2daf h ASP 93 CO 0.00 0.75 -2.06 0.18 -1.72 0.00 0.00 179.24 176.40 2daf n LEU 94 N -3.76 1.92 -3.69 1.55 4.77 -1.05 -4.80 117.00 111.94 2daf n LEU 94 Ca -0.02 0.37 -0.28 0.00 -0.03 0.00 0.00 56.01 56.06 2daf n LEU 94 Cb 0.67 -0.86 -0.11 0.00 -2.33 0.00 0.00 43.42 40.79 2daf n LEU 94 CO 0.44 0.43 -0.16 -0.31 -1.33 0.00 0.00 177.39 176.46 2daf s TYR 95 N -2.47 2.49 0.29 -1.77 1.51 -0.92 -5.11 117.35 111.36 2daf s TYR 95 Ca -0.35 -2.88 -0.29 0.00 -1.01 0.00 0.00 57.07 52.54 2daf s TYR 95 Cb 0.11 -1.96 -0.10 0.00 -0.11 0.00 0.00 41.96 39.91 2daf s TYR 95 CO 0.51 -0.67 1.25 -1.25 -1.11 0.00 0.00 175.55 174.28 2daf s PRO 96 N -0.72 4.45 -0.15 -1.71 0.04 -1.10 -4.49 135.00 131.31 2daf s PRO 96 Ca 0.27 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 63.08 2daf s PRO 96 Cb -0.03 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.36 2daf s PRO 96 CO -0.16 -0.08 1.21 0.08 0.04 0.00 0.00 177.00 178.09 2daf s VAL 97 N -0.86 4.34 0.34 -0.36 1.01 -1.26 -4.97 120.40 118.64 2daf s VAL 97 Ca 0.49 1.63 0.06 0.00 0.00 0.00 0.00 61.98 64.16 2daf s VAL 97 Cb -0.37 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 2daf s VAL 97 CO 0.46 -0.11 0.48 -0.13 0.00 0.00 0.00 175.10 175.80 2daf s ARG 98 N 3.12 3.12 0.51 2.72 1.81 -1.26 -4.63 118.95 124.33 2daf s ARG 98 Ca 0.54 -0.99 -0.13 0.00 -1.72 0.00 0.00 55.73 53.43 2daf s ARG 98 Cb -0.21 -2.81 -0.06 0.00 -0.45 0.00 0.00 34.95 31.41 2daf s ARG 98 CO 0.15 0.05 0.93 -0.98 -0.68 0.00 0.00 175.30 174.77 2daf s ARG 99 N -4.19 3.80 -0.29 3.54 1.70 -1.26 -4.98 118.95 117.27 2daf s ARG 99 Ca 0.45 0.74 0.03 0.00 -0.47 0.00 0.00 55.73 56.48 2daf s ARG 99 Cb -0.10 -2.20 0.08 0.00 -0.57 0.00 0.00 34.95 32.16 2daf s ARG 99 CO 0.31 -0.28 -0.02 0.42 -1.08 0.00 0.00 175.30 174.66 2daf s ILE 100 N -2.70 2.01 0.03 4.99 1.01 -1.26 -5.05 121.20 120.24 2daf s ILE 100 Ca 0.55 -1.85 -0.35 0.00 0.00 0.00 0.00 60.65 59.00 2daf s ILE 100 Cb -0.10 -2.32 -0.14 0.00 0.01 0.00 0.00 42.46 39.90 2daf s ILE 100 CO 0.37 -0.33 1.64 0.47 0.00 0.00 0.00 174.94 177.09 2daf n ASP 101 N 4.43 2.88 -3.54 3.58 8.00 -1.26 -4.96 116.55 125.67 2daf n ASP 101 Ca -0.05 1.06 -0.17 0.00 0.71 0.00 0.00 54.79 56.33 2daf n ASP 101 Cb 0.42 -1.34 -0.06 0.00 -0.02 0.00 0.00 41.12 40.12 2daf n ASP 101 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2daf s GLY 102 N 2.01 -0.57 -0.40 0.44 0.00 -1.26 -5.12 107.32 102.42 2daf s GLY 102 Ca 0.86 1.48 0.03 0.00 0.00 0.00 0.00 44.72 47.09 2daf s GLY 102 CO 0.46 1.13 0.13 -2.27 0.00 0.00 0.00 173.10 172.55 2daf s LEU 103 N -0.86 4.21 -0.23 0.66 2.96 -1.26 -5.06 118.68 119.10 2daf s LEU 103 Ca -0.09 -2.39 -0.29 0.00 -0.22 0.00 0.00 54.13 51.14 2daf s LEU 103 Cb -0.01 -1.51 0.15 0.00 0.50 0.00 0.00 46.19 45.33 2daf s LEU 103 CO 0.08 -0.33 1.16 0.28 -1.32 0.00 0.00 176.35 176.22 2daf s THR 104 N 0.58 0.00 -0.30 3.68 -1.32 -1.26 -5.16 115.64 111.86 2daf s THR 104 Ca 0.13 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.46 2daf s THR 104 Cb -0.21 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 69.95 2daf s THR 104 CO -0.07 0.00 1.08 1.51 -2.21 0.00 0.00 174.62 174.94 2daf s ASP 105 N -0.77 -0.41 -0.14 8.08 -4.77 -1.26 -4.89 116.67 112.52 2daf s ASP 105 Ca 0.03 0.39 -0.06 0.00 -3.30 0.00 0.00 52.55 49.61 2daf s ASP 105 Cb -0.02 1.39 0.06 0.00 -1.09 0.00 0.00 42.92 43.27 2daf s ASP 105 CO -0.04 -0.08 0.29 0.54 0.70 0.00 0.00 175.17 176.58 2daf s VAL 106 N 2.63 -0.32 0.24 2.11 0.11 -1.26 -5.15 120.40 118.76 2daf s VAL 106 Ca -0.01 0.22 -0.17 0.00 -2.93 0.00 0.00 61.98 59.09 2daf s VAL 106 Cb -0.07 -0.47 0.06 0.00 -1.53 0.00 0.00 36.38 34.37 2daf s VAL 106 CO -0.14 0.09 0.82 -1.20 -3.33 0.00 0.00 175.10 171.35 2daf n SER 107 N 4.99 -1.73 -4.08 3.54 7.64 -1.26 -5.12 113.62 117.60 2daf n SER 107 Ca -0.13 -2.04 -0.09 0.00 1.01 0.00 0.00 58.87 57.62 2daf n SER 107 Cb 0.51 2.84 -0.09 0.00 -1.01 0.00 0.00 64.21 66.46 2daf n SER 107 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2daf s GLN 108 N -2.06 0.88 -0.37 1.43 -0.44 -1.26 -5.13 119.66 112.71 2daf s GLN 108 Ca 0.18 -1.30 -0.02 0.00 -2.50 0.00 0.00 55.36 51.72 2daf s GLN 108 Cb -0.03 0.27 0.09 0.00 -1.64 0.00 0.00 33.01 31.70 2daf s GLN 108 CO 0.07 -0.25 0.14 0.96 0.50 0.00 0.00 175.29 176.70 2daf s ILE 109 N -3.99 3.08 -0.06 -2.34 -4.36 -1.26 -5.07 121.20 107.20 2daf s ILE 109 Ca 0.17 -1.95 -0.16 0.00 -0.26 0.00 0.00 60.65 58.46 2daf s ILE 109 Cb 0.07 -3.06 0.03 0.00 1.25 0.00 0.00 42.46 40.75 2daf s ILE 109 CO -0.02 -0.55 0.38 -0.51 0.24 0.00 0.00 174.94 174.48 2daf s ILE 110 N 1.13 0.03 -0.28 8.37 2.07 -1.26 -5.16 121.20 126.10 2daf s ILE 110 Ca 0.06 -0.27 -0.17 0.00 -1.41 0.00 0.00 60.65 58.86 2daf s ILE 110 Cb -0.22 -0.64 0.09 0.00 0.13 0.00 0.00 42.46 41.83 2daf s ILE 110 CO -0.04 -0.15 0.76 -0.89 -1.91 0.00 0.00 174.94 172.70 2daf s THR 111 N -0.83 0.00 0.08 4.00 2.01 -1.26 -5.16 115.64 114.49 2daf s THR 111 Ca -0.09 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 61.69 2daf s THR 111 Cb -0.04 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.40 2daf s THR 111 CO 0.04 0.00 0.64 0.68 -0.69 0.00 0.00 174.62 175.29 2daf s VAL 112 N 1.50 4.67 0.66 3.82 -7.23 -1.26 -5.08 120.40 117.48 2daf s VAL 112 Ca -0.09 1.38 -0.01 0.00 -1.81 0.00 0.00 61.98 61.45 2daf s VAL 112 Cb -0.05 -3.98 0.09 0.00 0.56 0.00 0.00 36.38 33.00 2daf s VAL 112 CO -0.18 0.51 0.93 -0.94 -0.31 0.00 0.00 175.10 175.11 2daf s SER 113 N -0.89 4.71 -0.05 4.85 1.04 -1.26 -5.12 113.70 116.98 2daf s SER 113 Ca 0.32 -0.10 -0.17 0.00 0.48 0.00 0.00 55.95 56.48 2daf s SER 113 Cb -0.20 -0.49 0.03 0.00 0.10 0.00 0.00 66.02 65.46 2daf s SER 113 CO 0.21 -1.59 0.37 -0.83 0.98 0.00 0.00 173.24 172.38 2daf s GLY 114 N -4.60 -0.24 1.14 7.32 0.00 -1.26 -5.17 107.32 104.52 2daf s GLY 114 Ca 0.62 0.62 -0.17 0.00 0.00 0.00 0.00 44.72 45.80 2daf s GLY 114 CO 0.42 0.41 1.11 2.56 0.00 0.00 0.00 173.10 177.60 2daf s PRO 115 N -0.96 -0.75 0.24 2.90 0.04 -1.26 -5.09 135.00 130.12 2daf s PRO 115 Ca -0.10 0.10 -0.10 0.00 0.04 0.00 0.00 61.00 60.94 2daf s PRO 115 Cb -0.04 -1.64 -0.01 0.00 0.04 0.00 0.00 34.50 32.85 2daf s PRO 115 CO 0.04 -3.43 0.41 -1.54 0.04 0.00 0.00 177.00 172.52 2daf s SER 116 N -3.76 0.00 0.30 6.66 1.04 -1.26 -5.19 113.70 111.49 2daf s SER 116 Ca 0.69 -1.05 -0.06 0.00 0.48 0.00 0.00 55.95 56.01 2daf s SER 116 Cb -0.12 0.55 -0.00 0.00 0.10 0.00 0.00 66.02 66.54 2daf s SER 116 CO 0.57 -1.09 0.44 -0.44 0.98 0.00 0.00 173.24 173.70 2daf s SER 117 N -3.06 0.48 0.00 7.02 0.01 -1.26 -5.39 113.70 111.51 2daf s SER 117 Ca 0.26 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 56.23 2daf s SER 117 Cb 0.01 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.85 2daf s SER 117 CO 0.10 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 173.16