#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2daf h SER 2 N 0.00 0.32 -5.21 1.61 4.64 -2.14 -3.48 113.55 109.29 2daf h SER 2 Ca 0.00 -0.80 -0.35 0.00 -0.47 0.00 0.00 61.79 60.18 2daf h SER 2 Cb 0.00 -0.10 0.12 0.00 -0.31 0.00 0.00 62.40 62.11 2daf h SER 2 CO 0.00 1.08 -0.59 -1.20 -0.87 0.00 0.00 176.83 175.25 2daf n SER 3 N -4.40 -5.82 -4.83 4.97 7.64 -1.26 -4.98 113.62 104.94 2daf n SER 3 Ca -0.10 -0.47 -0.31 0.00 1.01 0.00 0.00 58.87 58.99 2daf n SER 3 Cb 0.58 -4.45 0.02 0.00 -1.01 0.00 0.00 64.21 59.36 2daf n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2daf s GLY 4 N -3.28 1.77 0.02 0.23 0.00 -1.26 -5.08 107.32 99.71 2daf s GLY 4 Ca 0.51 0.09 -0.02 0.00 0.00 0.00 0.00 44.72 45.30 2daf s GLY 4 CO 0.63 0.38 0.01 -0.56 0.00 0.00 0.00 173.10 173.57 2daf s SER 5 N -3.69 0.20 -0.28 1.64 0.01 -1.26 -5.16 113.70 105.16 2daf s SER 5 Ca 0.58 -0.45 -0.23 0.00 1.31 0.00 0.00 55.95 57.16 2daf s SER 5 Cb -0.13 0.13 0.10 0.00 0.21 0.00 0.00 66.02 66.33 2daf s SER 5 CO 0.50 -0.33 0.85 -0.44 0.41 0.00 0.00 173.24 174.23 2daf s SER 6 N -1.49 -0.65 -0.99 2.44 0.01 -1.26 -5.01 113.70 106.75 2daf s SER 6 Ca -0.15 1.20 -0.07 0.00 1.31 0.00 0.00 55.95 58.24 2daf s SER 6 Cb -0.09 1.23 -0.04 0.00 0.21 0.00 0.00 66.02 67.33 2daf s SER 6 CO -0.01 -0.20 0.84 0.61 0.41 0.00 0.00 173.24 174.89 2daf n GLY 7 N 2.82 -1.16 3.63 3.44 0.00 -1.26 -4.97 105.19 107.69 2daf n GLY 7 Ca -0.15 0.54 -0.38 0.00 0.00 0.00 0.00 46.02 46.04 2daf n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2daf s GLN 8 N -4.39 4.04 1.00 1.61 2.00 -1.26 -5.07 119.66 117.60 2daf s GLN 8 Ca 0.35 -0.12 -0.14 0.00 -2.00 0.00 0.00 55.36 53.45 2daf s GLN 8 Cb -0.06 -3.60 0.07 0.00 0.80 0.00 0.00 33.01 30.22 2daf s GLN 8 CO 0.77 -0.11 0.37 0.39 -0.50 0.00 0.00 175.29 176.21 2daf n GLU 9 N 4.79 -0.73 -3.65 1.67 -0.58 -1.26 -5.04 120.64 115.84 2daf n GLU 9 Ca -0.12 -0.18 -0.12 0.00 -0.42 0.00 0.00 57.16 56.32 2daf n GLU 9 Cb 0.51 -1.86 -0.08 0.00 -0.57 0.00 0.00 31.44 29.45 2daf n GLU 9 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2daf s SER 10 N -2.02 -0.72 -0.03 1.62 0.01 -1.26 -5.16 113.70 106.14 2daf s SER 10 Ca 0.58 1.33 -0.00 0.00 1.31 0.00 0.00 55.95 59.16 2daf s SER 10 Cb -0.19 1.31 0.03 0.00 0.21 0.00 0.00 66.02 67.38 2daf s SER 10 CO 0.66 -0.23 0.03 -0.69 0.41 0.00 0.00 173.24 173.43 2daf s VAL 11 N 0.65 -0.03 -1.16 3.43 1.01 -1.26 -5.05 120.40 117.98 2daf s VAL 11 Ca -0.02 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 2daf s VAL 11 Cb -0.05 -0.13 0.13 0.00 0.00 0.00 0.00 36.38 36.33 2daf s VAL 11 CO -0.04 0.12 2.40 -1.84 0.00 0.00 0.00 175.10 175.74 2daf n GLU 12 N 4.44 4.33 -0.12 2.72 0.28 -1.26 -4.49 120.64 126.54 2daf n GLU 12 Ca -0.22 -3.40 -0.26 0.00 -0.16 0.00 0.00 57.16 53.13 2daf n GLU 12 Cb 0.50 -2.54 -0.11 0.00 1.43 0.00 0.00 31.44 30.72 2daf n GLU 12 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2daf n ASP 13 N 1.42 1.93 -2.54 -1.84 -0.08 -1.26 -4.65 116.55 109.53 2daf n ASP 13 Ca 0.59 0.33 -0.23 0.00 -1.51 0.00 0.00 54.79 53.97 2daf n ASP 13 Cb 0.29 -0.85 0.00 0.00 2.34 0.00 0.00 41.12 42.91 2daf n ASP 13 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2daf n SER 14 N -4.21 3.95 -4.69 1.67 7.64 -1.26 -4.88 113.62 111.83 2daf n SER 14 Ca -0.44 -3.49 -0.39 0.00 1.01 0.00 0.00 58.87 55.56 2daf n SER 14 Cb 0.83 -0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 63.48 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 -3.43 4.21 0.00 -3.43 1.43 -1.26 -2.79 118.68 113.41 2daf s LEU 15 Ca 0.43 0.76 0.05 0.00 -1.03 0.00 0.00 54.13 54.35 2daf s LEU 15 Cb 0.41 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 2daf s LEU 15 CO -0.14 -0.10 -0.15 0.00 0.23 0.00 0.00 176.35 176.20 2daf s ALA 16 N 1.14 2.69 -0.42 4.21 0.00 -0.82 0.13 121.76 128.68 2daf s ALA 16 Ca 0.26 -1.08 -0.29 0.00 0.00 0.00 0.00 51.96 50.85 2daf s ALA 16 Cb -0.15 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.09 2daf s ALA 16 CO 0.10 0.57 1.29 0.99 0.00 0.00 0.00 175.76 178.71 2daf s THR 17 N -0.86 4.06 -0.33 0.00 2.01 0.17 -2.19 115.64 118.50 2daf s THR 17 Ca 0.14 1.10 -0.06 0.00 0.31 0.00 0.00 61.69 63.18 2daf s THR 17 Cb -0.11 -4.36 0.04 0.00 0.01 0.00 0.00 72.50 68.08 2daf s THR 17 CO 0.04 -0.82 0.08 -0.69 -0.69 0.00 0.00 174.62 172.54 2daf s VAL 18 N 4.91 3.67 -0.05 3.82 1.01 -1.21 -2.44 120.40 130.11 2daf s VAL 18 Ca 0.55 -1.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.14 2daf s VAL 18 Cb -0.11 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 2daf s VAL 18 CO 0.31 -0.13 0.90 -0.54 0.00 0.00 0.00 175.10 175.64 2daf s LYS 19 N 1.39 4.48 -0.12 2.72 1.02 -1.16 -3.27 119.74 124.81 2daf s LYS 19 Ca -0.02 1.25 -0.01 0.00 0.02 0.00 0.00 55.97 57.21 2daf s LYS 19 Cb -0.19 -3.48 -0.02 0.00 -0.52 0.00 0.00 37.83 33.61 2daf s LYS 19 CO 0.02 -0.10 -0.08 0.08 -0.92 0.00 0.00 175.35 174.35 2daf s VAL 20 N 1.26 3.54 -0.10 3.17 1.01 0.52 -1.78 120.40 128.03 2daf s VAL 20 Ca 0.46 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2daf s VAL 20 Cb -0.19 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.71 2daf s VAL 20 CO 0.22 0.54 -0.14 -0.69 0.00 0.00 0.00 175.10 175.03 2daf s VAL 21 N -0.02 1.34 -0.01 2.92 1.01 -0.98 -0.23 120.40 124.43 2daf s VAL 21 Ca -0.01 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 2daf s VAL 21 Cb -0.14 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 2daf s VAL 21 CO 0.03 0.41 1.22 -0.76 0.00 0.00 0.00 175.10 176.00 2daf s LEU 22 N 0.97 4.32 -0.03 3.92 1.43 -0.14 -1.49 118.68 127.66 2daf s LEU 22 Ca -0.08 1.92 -0.19 0.00 -1.03 0.00 0.00 54.13 54.75 2daf s LEU 22 Cb -0.15 -3.57 -0.12 0.00 0.03 0.00 0.00 46.19 42.39 2daf s LEU 22 CO -0.01 -0.56 0.83 0.40 0.23 0.00 0.00 176.35 177.24 2daf h ILE 23 N 4.82 0.26 -0.30 -0.59 1.08 -1.64 0.46 117.51 121.60 2daf h ILE 23 Ca -0.37 -0.66 -0.15 0.00 -0.39 0.00 0.00 64.86 63.29 2daf h ILE 23 Cb 1.18 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 2daf h ILE 23 CO 0.86 0.06 -0.41 1.55 -0.69 0.00 0.00 178.15 179.52 2daf h PRO 24 N -1.06 0.72 0.00 2.37 0.13 -1.93 -3.33 132.00 128.91 2daf h PRO 24 Ca -0.05 -0.38 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 2daf h PRO 24 Cb 0.50 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 2daf h PRO 24 CO 0.09 1.00 -0.17 0.28 -0.23 0.00 0.00 178.00 178.96 2daf h VAL 25 N 0.59 1.00 0.00 1.56 2.07 -1.86 -3.49 116.25 116.12 2daf h VAL 25 Ca 0.05 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.76 2daf h VAL 25 Cb 0.95 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2daf h VAL 25 CO 0.09 0.34 0.00 0.61 0.02 0.00 0.00 177.57 178.63 2daf n GLY 26 N 1.65 0.78 3.90 2.17 0.00 0.16 -5.01 105.19 108.84 2daf n GLY 26 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.80 3.30 -0.01 1.61 0.74 -1.25 -4.74 119.66 118.51 2daf s GLN 27 Ca 0.00 0.31 0.05 0.00 0.05 0.00 0.00 55.36 55.77 2daf s GLN 27 Cb 0.00 -2.23 -0.03 0.00 1.10 0.00 0.00 33.01 31.85 2daf s GLN 27 CO 0.00 -0.53 -0.17 -1.21 -0.55 0.00 0.00 175.29 172.83 2daf s GLU 28 N -4.99 2.32 -0.06 1.67 2.02 -1.26 -0.96 118.70 117.43 2daf s GLU 28 Ca 0.52 -0.82 -0.02 0.00 0.02 0.00 0.00 54.97 54.67 2daf s GLU 28 Cb -0.11 -2.28 0.04 0.00 0.10 0.00 0.00 34.13 31.88 2daf s GLU 28 CO 0.48 0.59 0.13 0.42 0.02 0.00 0.00 175.26 176.90 2daf s ILE 29 N -0.79 -0.07 -0.24 -1.63 1.01 0.68 -5.01 121.20 115.14 2daf s ILE 29 Ca 0.13 0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.91 2daf s ILE 29 Cb -0.11 -0.22 -0.03 0.00 0.01 0.00 0.00 42.46 42.12 2daf s ILE 29 CO 0.02 0.09 0.07 -0.69 0.00 0.00 0.00 174.94 174.42 2daf s VAL 30 N 1.29 4.34 -0.07 2.92 1.01 -1.26 -0.36 120.40 128.27 2daf s VAL 30 Ca -0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 2daf s VAL 30 Cb -0.12 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.27 2daf s VAL 30 CO -0.05 0.35 0.16 -0.51 0.00 0.00 0.00 175.10 175.05 2daf s ILE 31 N 1.46 -0.04 0.30 2.22 2.07 -1.20 -5.03 121.20 120.98 2daf s ILE 31 Ca 0.06 0.13 -0.29 0.00 -1.41 0.00 0.00 60.65 59.13 2daf s ILE 31 Cb -0.15 -0.25 -0.10 0.00 0.13 0.00 0.00 42.46 42.09 2daf s ILE 31 CO 0.03 0.05 1.23 -2.16 -1.91 0.00 0.00 174.94 172.19 2daf s PRO 32 N 0.91 4.46 -0.04 3.50 0.04 -1.26 -3.33 135.00 139.27 2daf s PRO 32 Ca -0.07 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 2daf s PRO 32 Cb -0.09 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 31.35 2daf s PRO 32 CO -0.05 -0.05 0.10 0.12 0.04 0.00 0.00 177.00 177.16 2daf s PHE 33 N -1.03 -0.10 0.31 0.56 5.36 -0.93 -4.96 117.98 117.19 2daf s PHE 33 Ca 0.48 0.31 -0.29 0.00 -0.96 0.00 0.00 56.93 56.47 2daf s PHE 33 Cb -0.37 -0.05 -0.10 0.00 -0.34 0.00 0.00 43.02 42.16 2daf s PHE 33 CO 0.47 -0.10 1.20 0.15 -1.46 0.00 0.00 175.22 175.48 2daf s LYS 34 N 0.63 4.48 0.11 10.12 1.02 -1.26 -1.95 119.74 132.88 2daf s LYS 34 Ca -0.05 2.00 -0.08 0.00 0.02 0.00 0.00 55.97 57.86 2daf s LYS 34 Cb -0.07 -3.11 -0.15 0.00 -0.52 0.00 0.00 37.83 33.98 2daf s LYS 34 CO -0.03 0.00 1.26 -0.39 -0.92 0.00 0.00 175.35 175.27 2daf h VAL 35 N 3.03 1.36 -0.32 3.17 -1.51 -1.89 -3.20 116.25 116.88 2daf h VAL 35 Ca -0.48 -2.40 -0.19 0.00 -1.23 0.00 0.00 66.70 62.41 2daf h VAL 35 Cb 1.22 2.43 -0.10 0.00 -2.13 0.00 0.00 31.29 32.71 2daf h VAL 35 CO 0.66 0.72 0.24 -0.67 -1.23 0.00 0.00 177.57 177.29 2daf n ASP 36 N -3.78 4.27 -4.00 4.19 2.03 -1.26 -2.43 116.55 115.57 2daf n ASP 36 Ca -0.08 -2.64 -0.15 0.00 0.52 0.00 0.00 54.79 52.44 2daf n ASP 36 Cb 0.86 -0.78 -0.13 0.00 -0.72 0.00 0.00 41.12 40.35 2daf n ASP 36 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2daf s THR 37 N -1.24 0.48 1.20 5.18 2.01 -1.21 -5.05 115.64 117.02 2daf s THR 37 Ca 0.19 -0.55 -0.17 0.00 0.31 0.00 0.00 61.69 61.47 2daf s THR 37 Cb 0.16 -0.46 0.24 0.00 0.01 0.00 0.00 72.50 72.44 2daf s THR 37 CO 0.02 -0.06 0.58 2.30 -0.69 0.00 0.00 174.62 176.76 2daf n ILE 38 N 2.39 0.00 0.01 1.82 -5.35 -1.26 -4.13 119.36 112.84 2daf n ILE 38 Ca -0.17 -0.33 -0.13 0.00 -0.27 0.00 0.00 62.75 61.86 2daf n ILE 38 Cb 0.57 -0.82 -0.14 0.00 -1.74 0.00 0.00 39.64 37.51 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 -2.65 0.18 -0.80 7.28 3.38 -1.42 -3.39 115.31 117.89 2daf h LEU 39 Ca -0.54 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 57.18 2daf h LEU 39 Cb 1.30 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.89 2daf h LEU 39 CO 0.40 1.30 -0.44 1.17 0.09 0.00 0.00 178.44 180.96 2daf n LYS 40 N -3.25 -0.31 -0.33 1.13 4.81 -1.25 -0.02 118.16 118.93 2daf n LYS 40 Ca -0.19 1.22 -0.04 0.00 -0.87 0.00 0.00 58.31 58.43 2daf n LYS 40 Cb 1.04 -1.79 -0.01 0.00 0.02 0.00 0.00 35.03 34.29 2daf n LYS 40 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2daf n TYR 41 N -5.04 -0.11 -0.02 5.64 4.02 -1.26 0.18 117.16 120.57 2daf n TYR 41 Ca 0.03 1.02 -0.03 0.00 -0.01 0.00 0.00 57.90 58.91 2daf n TYR 41 Cb 0.23 -0.73 0.21 0.00 -0.02 0.00 0.00 39.34 39.04 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 0.56 0.83 7.72 5.85 -0.70 -2.58 115.31 126.98 2daf h LEU 42 Ca 0.23 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2daf h LEU 42 Cb 0.44 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2daf h LEU 42 CO -0.80 0.73 -0.43 0.50 -0.34 0.00 0.00 178.44 178.10 2daf h LYS 43 N 0.51 -1.11 -0.56 1.25 3.64 0.35 -3.07 116.57 117.59 2daf h LYS 43 Ca 0.09 0.08 0.11 0.00 -1.27 0.00 0.00 60.65 59.65 2daf h LYS 43 Cb 0.56 0.25 -0.08 0.00 -0.41 0.00 0.00 32.23 32.55 2daf h LYS 43 CO 0.04 -0.74 0.07 -0.44 -2.27 0.00 0.00 179.45 176.11 2daf h ASP 44 N -1.15 -0.09 -0.74 4.20 5.19 -0.72 -0.60 116.42 122.52 2daf h ASP 44 Ca -0.11 0.11 0.25 0.00 -0.62 0.00 0.00 57.03 56.66 2daf h ASP 44 Cb 0.89 0.18 -0.14 0.00 0.18 0.00 0.00 39.33 40.44 2daf h ASP 44 CO 0.17 -0.02 0.18 1.57 -3.12 0.00 0.00 179.24 178.01 2daf n HIS 45 N -5.17 0.64 -0.09 4.55 -0.00 -0.97 -0.75 115.22 113.43 2daf n HIS 45 Ca 0.07 0.88 -0.16 0.00 0.46 0.00 0.00 57.72 58.98 2daf n HIS 45 Cb 0.30 -1.16 -0.07 0.00 -0.12 0.00 0.00 29.99 28.94 2daf n HIS 45 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 2daf n PHE 46 N -4.86 0.87 -0.31 1.57 3.01 -0.59 -3.42 117.46 113.73 2daf n PHE 46 Ca 0.22 0.38 0.01 0.00 1.01 0.00 0.00 57.45 59.07 2daf n PHE 46 Cb 0.73 -0.95 0.07 0.00 -0.01 0.00 0.00 39.48 39.32 2daf n PHE 46 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2daf n SER 47 N -4.49 -0.44 0.16 4.37 2.88 -0.33 0.30 113.62 116.06 2daf n SER 47 Ca -0.24 1.43 -0.13 0.00 -1.33 0.00 0.00 58.87 58.60 2daf n SER 47 Cb 0.54 -0.37 -0.08 0.00 -0.75 0.00 0.00 64.21 63.55 2daf n SER 47 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 2daf h HIS 48 N 0.00 -0.39 -0.13 0.66 2.07 -1.07 0.31 115.15 116.60 2daf h HIS 48 Ca 0.33 -0.01 0.02 0.00 -2.85 0.00 0.00 60.37 57.86 2daf h HIS 48 Cb 0.54 0.13 -0.05 0.00 2.57 0.00 0.00 27.41 30.59 2daf h HIS 48 CO -0.69 -0.05 -0.41 1.25 -3.07 0.00 0.00 177.93 174.96 2daf h LEU 49 N -0.79 -1.31 -1.99 6.12 7.12 -0.78 0.29 115.31 123.97 2daf h LEU 49 Ca -0.04 0.16 0.06 0.00 0.13 0.00 0.00 57.88 58.19 2daf h LEU 49 Cb 0.51 0.52 -0.01 0.00 -0.53 0.00 0.00 40.66 41.15 2daf h LEU 49 CO 0.07 -0.36 0.39 -0.07 -0.13 0.00 0.00 178.44 178.34 2daf h LEU 50 N -0.42 0.00 0.00 2.25 3.38 -0.25 -3.45 115.31 116.82 2daf h LEU 50 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2daf h LEU 50 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2daf h LEU 50 CO -0.35 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.79 2daf n GLY 51 N -1.36 0.58 3.38 0.83 0.00 0.10 -4.95 105.19 103.77 2daf n GLY 51 Ca 0.03 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 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 2.15 0.45 -0.61 -4.36 0.06 -5.00 121.20 111.88 2daf s ILE 52 Ca 0.00 -1.87 -0.23 0.00 -0.26 0.00 0.00 60.65 58.29 2daf s ILE 52 Cb 0.00 -1.96 -0.08 0.00 1.25 0.00 0.00 42.46 41.67 2daf s ILE 52 CO 0.00 -0.08 1.17 -2.16 0.24 0.00 0.00 174.94 174.11 2daf s PRO 53 N -2.41 3.82 0.18 0.37 0.04 -1.26 -4.00 135.00 131.75 2daf s PRO 53 Ca 0.16 1.80 0.25 0.00 0.04 0.00 0.00 61.00 63.25 2daf s PRO 53 Cb -0.08 -2.47 0.90 0.00 0.04 0.00 0.00 34.50 32.89 2daf s PRO 53 CO 0.07 -0.50 1.76 -2.39 0.04 0.00 0.00 177.00 175.98 2daf n HIS 54 N -0.36 0.73 0.32 0.56 1.44 -1.26 -3.23 115.22 113.41 2daf n HIS 54 Ca 0.07 0.23 0.19 0.00 -2.01 0.00 0.00 57.72 56.20 2daf n HIS 54 Cb 0.48 -0.88 1.03 0.00 0.12 0.00 0.00 29.99 30.73 2daf n HIS 54 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2daf h SER 55 N 0.00 0.00 0.00 4.39 4.64 -2.02 -2.39 113.55 118.17 2daf h SER 55 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 2daf h SER 55 Cb 0.58 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 2daf h SER 55 CO 0.00 0.00 -1.66 1.33 -0.87 0.00 0.00 176.83 175.63 2daf n VAL 56 N -3.17 0.66 -2.59 0.95 0.24 -1.20 -4.99 118.33 108.23 2daf n VAL 56 Ca -0.02 -0.39 -0.41 0.00 -2.04 0.00 0.00 64.34 61.48 2daf n VAL 56 Cb 0.20 -0.77 -0.04 0.00 -1.47 0.00 0.00 33.84 31.76 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 -4.85 4.45 0.21 1.34 2.96 -0.90 -0.68 118.68 121.21 2daf s LEU 57 Ca -0.06 1.92 -0.03 0.00 -0.22 0.00 0.00 54.13 55.74 2daf s LEU 57 Cb 0.03 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 2daf s LEU 57 CO 0.38 -0.22 0.18 -1.10 -1.32 0.00 0.00 176.35 174.26 2daf s GLN 58 N 0.20 1.25 0.10 1.98 -1.52 -0.91 -4.82 119.66 115.94 2daf s GLN 58 Ca 0.51 -1.58 0.10 0.00 -1.95 0.00 0.00 55.36 52.43 2daf s GLN 58 Cb -0.26 0.30 -0.04 0.00 -0.22 0.00 0.00 33.01 32.79 2daf s GLN 58 CO 0.31 -0.43 -0.26 0.42 -0.25 0.00 0.00 175.29 175.09 2daf s ILE 59 N -4.14 2.12 -0.11 1.08 1.01 -1.26 -3.20 121.20 116.70 2daf s ILE 59 Ca 0.37 -1.59 0.02 0.00 0.00 0.00 0.00 60.65 59.44 2daf s ILE 59 Cb 0.06 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.68 2daf s ILE 59 CO 0.12 0.16 -0.16 -0.60 0.00 0.00 0.00 174.94 174.45 2daf s ARG 60 N -1.75 2.33 -0.02 2.79 3.52 -1.07 -3.80 118.95 120.95 2daf s ARG 60 Ca 0.12 -0.60 -0.01 0.00 -0.13 0.00 0.00 55.73 55.11 2daf s ARG 60 Cb -0.10 -1.97 0.01 0.00 -1.56 0.00 0.00 34.95 31.34 2daf s ARG 60 CO 0.04 -0.06 0.04 -0.47 -0.81 0.00 0.00 175.30 174.04 2daf s TYR 61 N 0.98 -0.03 -1.61 5.12 5.04 -0.73 -3.06 117.35 123.05 2daf s TYR 61 Ca -0.06 0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.70 2daf s TYR 61 Cb -0.15 -0.07 0.00 0.00 0.35 0.00 0.00 41.96 42.09 2daf s TYR 61 CO -0.02 -0.05 0.00 0.45 -1.34 0.00 0.00 175.55 174.59 2daf n SER 62 N 3.49 -4.73 0.00 4.32 2.88 -1.26 -0.06 113.62 118.26 2daf n SER 62 Ca -0.18 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2daf n SER 62 Cb 0.56 -4.11 0.00 0.00 -0.75 0.00 0.00 64.21 59.91 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 -0.63 0.39 3.45 0.46 0.00 -1.26 -5.00 105.19 102.60 2daf n GLY 63 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.57 1.63 -0.33 1.61 -2.85 0.92 -5.11 119.74 115.03 2daf s LYS 64 Ca 0.00 -1.46 -0.20 0.00 -1.00 0.00 0.00 55.97 53.31 2daf s LYS 64 Cb 0.00 -1.92 -0.00 0.00 -2.06 0.00 0.00 37.83 33.85 2daf s LYS 64 CO 0.00 0.41 0.62 0.42 0.10 0.00 0.00 175.35 176.90 2daf s ILE 65 N -1.64 4.93 0.76 3.79 -1.09 -1.26 -1.77 121.20 124.92 2daf s ILE 65 Ca 0.21 0.69 -0.12 0.00 -2.23 0.00 0.00 60.65 59.21 2daf s ILE 65 Cb -0.08 -4.02 0.05 0.00 -1.58 0.00 0.00 42.46 36.83 2daf s ILE 65 CO 0.11 -0.21 1.11 -0.76 -1.23 0.00 0.00 174.94 173.96 2daf s LEU 66 N 2.62 2.69 -0.09 2.97 1.43 -1.25 -5.03 118.68 122.01 2daf s LEU 66 Ca 0.24 1.14 0.02 0.00 -1.03 0.00 0.00 54.13 54.50 2daf s LEU 66 Cb -0.15 -3.80 0.01 0.00 0.03 0.00 0.00 46.19 42.28 2daf s LEU 66 CO 0.13 -1.71 -0.17 -0.54 0.23 0.00 0.00 176.35 174.30 2daf s LYS 67 N -5.31 2.29 0.07 1.70 1.02 -1.26 -4.86 119.74 113.39 2daf s LYS 67 Ca 0.60 -0.60 -0.13 0.00 0.02 0.00 0.00 55.97 55.86 2daf s LYS 67 Cb -0.12 -1.85 -0.03 0.00 -0.52 0.00 0.00 37.83 35.30 2daf s LYS 67 CO 0.52 0.03 1.14 0.27 -0.92 0.00 0.00 175.35 176.39 2daf n ASN 68 N 3.90 -0.43 -0.29 2.83 6.94 -1.26 0.20 115.26 127.15 2daf n ASN 68 Ca -0.20 1.23 0.34 0.00 -0.02 0.00 0.00 54.58 55.93 2daf n ASN 68 Cb 0.52 -0.35 0.74 0.00 -2.36 0.00 0.00 39.78 38.33 2daf n ASN 68 CO 0.00 0.00 0.00 -1.13 -1.03 0.00 0.00 177.26 175.10 2daf h ASN 69 N 0.00 0.00 -3.26 0.53 -0.00 -1.97 -2.20 115.58 108.69 2daf h ASN 69 Ca 0.07 0.00 -0.42 0.00 -0.00 0.00 0.00 56.30 55.95 2daf h ASN 69 Cb 0.17 0.00 0.21 0.00 -0.00 0.00 0.00 38.32 38.69 2daf h ASN 69 CO -0.38 0.00 -0.00 -0.70 -0.00 0.00 0.00 177.43 176.35 2daf s GLU 70 N -4.89 -1.43 0.08 6.67 2.12 0.52 -4.82 118.70 116.95 2daf s GLU 70 Ca -0.05 0.52 0.02 0.00 0.36 0.00 0.00 54.97 55.82 2daf s GLU 70 Cb 0.22 -1.52 -0.03 0.00 0.26 0.00 0.00 34.13 33.06 2daf s GLU 70 CO 0.77 -3.98 -0.08 0.95 -0.54 0.00 0.00 175.26 172.38 2daf s THR 71 N -2.50 0.70 0.22 -1.70 -4.23 -1.26 -3.45 115.64 103.42 2daf s THR 71 Ca 0.68 -1.57 -0.04 0.00 -1.18 0.00 0.00 61.69 59.58 2daf s THR 71 Cb -0.20 -1.23 0.07 0.00 1.34 0.00 0.00 72.50 72.48 2daf s THR 71 CO 0.62 -0.63 1.68 -0.07 -0.54 0.00 0.00 174.62 175.68 2daf h LEU 72 N 3.64 0.83 -1.86 4.79 -0.00 -1.69 -2.47 115.31 118.55 2daf h LEU 72 Ca -0.36 -0.25 -0.02 0.00 -0.00 0.00 0.00 57.88 57.25 2daf h LEU 72 Cb 1.18 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 41.62 2daf h LEU 72 CO 0.53 0.95 -0.12 -0.37 -0.00 0.00 0.00 178.44 179.44 2daf h VAL 73 N 0.76 0.49 0.00 1.22 -1.51 -1.69 -1.41 116.25 114.11 2daf h VAL 73 Ca 0.13 -0.56 -0.09 0.00 -1.23 0.00 0.00 66.70 64.95 2daf h VAL 73 Cb 0.59 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 31.12 2daf h VAL 73 CO 0.04 0.11 -0.44 1.56 -1.23 0.00 0.00 177.57 177.61 2daf h GLN 74 N 0.00 0.00 0.03 5.19 1.08 -1.75 -3.24 115.11 116.41 2daf h GLN 74 Ca -0.00 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.90 2daf h GLN 74 Cb 0.37 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.76 2daf h GLN 74 CO 0.01 0.44 -1.67 0.45 -0.95 0.00 0.00 178.83 177.11 2daf h HIS 75 N 0.00 0.10 0.00 2.96 3.86 -1.27 -3.49 115.15 117.32 2daf h HIS 75 Ca -0.00 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 2daf h HIS 75 Cb 1.18 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 2daf h HIS 75 CO 0.00 1.14 0.00 0.41 0.86 0.00 0.00 177.93 180.34 2daf n GLY 76 N 1.61 0.38 3.22 2.45 0.00 -0.61 -5.13 105.19 107.11 2daf n GLY 76 Ca -0.17 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 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 0.00 1.63 0.21 1.61 1.01 -0.94 -5.00 120.40 118.91 2daf s VAL 77 Ca 0.00 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.18 2daf s VAL 77 Cb 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 2daf s VAL 77 CO 0.00 0.46 0.06 -0.54 0.00 0.00 0.00 175.10 175.08 2daf s LYS 78 N -0.47 2.57 0.37 2.72 1.02 -1.26 -4.44 119.74 120.25 2daf s LYS 78 Ca 0.08 -1.13 -0.27 0.00 0.02 0.00 0.00 55.97 54.67 2daf s LYS 78 Cb -0.08 -2.40 -0.09 0.00 -0.52 0.00 0.00 37.83 34.74 2daf s LYS 78 CO -0.01 0.43 1.20 -1.25 -0.92 0.00 0.00 175.35 174.80 2daf s PRO 79 N -3.32 4.19 -0.89 -1.68 0.04 -1.26 -3.62 135.00 128.46 2daf s PRO 79 Ca 0.30 1.95 -0.02 0.00 0.04 0.00 0.00 61.00 63.27 2daf s PRO 79 Cb -0.08 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.62 2daf s PRO 79 CO 0.21 -0.23 0.75 1.04 0.04 0.00 0.00 177.00 178.81 2daf n GLN 80 N 0.39 -5.02 -4.69 4.56 6.02 0.12 -4.88 117.38 113.88 2daf n GLN 80 Ca 0.03 0.61 -0.31 0.00 -0.01 0.00 0.00 57.00 57.31 2daf n GLN 80 Cb 0.45 -4.92 -0.08 0.00 1.02 0.00 0.00 30.24 26.71 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 -5.24 2.12 -0.07 -1.09 -1.05 -1.24 -4.86 118.70 107.27 2daf s GLU 81 Ca 0.11 -2.34 0.02 0.00 -0.15 0.00 0.00 54.97 52.62 2daf s GLU 81 Cb -0.05 -1.27 0.01 0.00 -0.44 0.00 0.00 34.13 32.38 2daf s GLU 81 CO 0.52 -0.39 -0.14 0.42 0.95 0.00 0.00 175.26 176.63 2daf s ILE 82 N -2.97 1.26 0.37 1.83 1.01 -1.26 0.45 121.20 121.90 2daf s ILE 82 Ca 0.11 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.27 2daf s ILE 82 Cb 0.02 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 2daf s ILE 82 CO 0.06 0.38 0.20 0.68 0.00 0.00 0.00 174.94 176.27 2daf s VAL 83 N 0.66 0.29 -0.05 2.92 -7.23 -1.02 -5.04 120.40 110.94 2daf s VAL 83 Ca -0.14 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.01 2daf s VAL 83 Cb -0.16 -2.40 0.03 0.00 0.56 0.00 0.00 36.38 34.41 2daf s VAL 83 CO 0.04 0.00 0.03 -1.58 -0.31 0.00 0.00 175.10 173.28 2daf s GLN 84 N -3.58 0.19 0.28 4.82 0.74 -1.26 -2.97 119.66 117.88 2daf s GLN 84 Ca 0.31 0.25 0.05 0.00 0.05 0.00 0.00 55.36 56.01 2daf s GLN 84 Cb 0.02 -0.63 -0.06 0.00 1.10 0.00 0.00 33.01 33.44 2daf s GLN 84 CO 0.21 -0.29 0.00 0.14 -0.55 0.00 0.00 175.29 174.80 2daf s VAL 85 N 1.90 1.27 -0.05 1.34 -7.23 -0.73 -4.77 120.40 112.13 2daf s VAL 85 Ca 0.02 -2.05 0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2daf s VAL 85 Cb -0.12 -2.55 0.02 0.00 0.56 0.00 0.00 36.38 34.29 2daf s VAL 85 CO -0.03 -0.19 -0.05 -1.61 -0.31 0.00 0.00 175.10 172.90 2daf s GLU 86 N -3.83 0.90 -0.01 4.82 2.02 -1.17 -2.33 118.70 119.09 2daf s GLU 86 Ca 0.32 -0.13 -0.02 0.00 0.02 0.00 0.00 54.97 55.16 2daf s GLU 86 Cb 0.06 -0.89 -0.04 0.00 0.10 0.00 0.00 34.13 33.36 2daf s GLU 86 CO 0.12 -0.08 0.16 0.42 0.02 0.00 0.00 175.26 175.90 2daf s ILE 87 N 0.93 5.28 0.17 -1.63 1.01 -0.56 -2.59 121.20 123.81 2daf s ILE 87 Ca -0.11 -0.20 -0.24 0.00 0.00 0.00 0.00 60.65 60.10 2daf s ILE 87 Cb -0.14 -3.45 0.07 0.00 0.01 0.00 0.00 42.46 38.94 2daf s ILE 87 CO 0.00 0.34 0.97 0.72 0.00 0.00 0.00 174.94 176.98 2daf s PHE 88 N -1.28 -0.09 -0.06 3.97 -0.12 -1.19 -1.61 117.98 117.59 2daf s PHE 88 Ca 0.26 -0.25 0.03 0.00 -0.05 0.00 0.00 56.93 56.92 2daf s PHE 88 Cb -0.12 0.66 -0.03 0.00 -0.63 0.00 0.00 43.02 42.90 2daf s PHE 88 CO 0.17 -0.86 -0.13 0.45 -0.05 0.00 0.00 175.22 174.79 2daf s SER 89 N -3.02 4.12 0.21 1.98 0.15 -1.26 -2.14 113.70 113.73 2daf s SER 89 Ca 0.14 -0.19 -0.00 0.00 0.70 0.00 0.00 55.95 56.60 2daf s SER 89 Cb -0.02 -0.99 0.17 0.00 -1.71 0.00 0.00 66.02 63.47 2daf s SER 89 CO 0.03 0.32 1.53 0.71 1.20 0.00 0.00 173.24 177.03 2daf h THR 90 N 4.47 1.34 -2.92 6.45 1.35 -1.27 -3.37 112.91 118.95 2daf h THR 90 Ca -0.44 -1.85 -0.61 0.00 -0.55 0.00 0.00 66.41 62.95 2daf h THR 90 Cb 1.16 1.85 -0.41 0.00 -1.73 0.00 0.00 68.15 69.03 2daf h THR 90 CO 0.51 0.56 -0.70 0.21 -0.25 0.00 0.00 175.52 175.86 2daf s ASN 91 N -6.91 3.77 0.03 5.36 2.47 -1.26 -4.93 114.94 113.47 2daf s ASN 91 Ca -0.06 -3.38 0.15 0.00 0.42 0.00 0.00 52.86 49.99 2daf s ASN 91 Cb 0.12 -1.25 0.65 0.00 -1.45 0.00 0.00 41.25 39.32 2daf s ASN 91 CO 0.82 -0.15 1.49 -0.81 -3.72 0.00 0.00 177.10 174.73 2daf n PRO 92 N 2.55 0.02 0.11 0.43 -0.04 -1.26 -2.07 135.00 134.74 2daf n PRO 92 Ca 0.19 0.28 -0.03 0.00 -0.04 0.00 0.00 63.50 63.90 2daf n PRO 92 Cb 0.38 -1.55 0.05 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.00 0.00 3.54 5.19 -1.96 -2.98 116.42 120.21 2daf h ASP 93 Ca 0.00 0.00 -0.39 0.00 -0.62 0.00 0.00 57.03 56.02 2daf h ASP 93 Cb 0.26 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.71 2daf h ASP 93 CO 0.00 0.76 -2.22 0.18 -3.12 0.00 0.00 179.24 174.83 2daf n LEU 94 N -3.53 1.94 -3.52 1.55 4.77 -1.03 -4.83 117.00 112.36 2daf n LEU 94 Ca -0.00 0.36 -0.27 0.00 -0.03 0.00 0.00 56.01 56.06 2daf n LEU 94 Cb 0.76 -0.84 -0.10 0.00 -2.33 0.00 0.00 43.42 40.91 2daf n LEU 94 CO 0.44 0.46 -0.22 -1.22 -1.33 0.00 0.00 177.39 175.52 2daf n TYR 95 N -4.30 0.47 -2.26 -1.77 4.01 -0.88 -5.12 117.16 107.31 2daf n TYR 95 Ca -0.48 -3.64 -0.36 0.00 -0.16 0.00 0.00 57.90 53.26 2daf n TYR 95 Cb 0.82 -0.07 -0.00 0.00 -0.31 0.00 0.00 39.34 39.78 2daf n TYR 95 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2daf s PRO 96 N -0.59 3.46 0.01 -0.72 0.04 -1.13 -4.54 135.00 131.54 2daf s PRO 96 Ca 0.31 1.65 -0.24 0.00 0.04 0.00 0.00 61.00 62.77 2daf s PRO 96 Cb 0.03 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2daf s PRO 96 CO -0.18 -0.77 0.73 0.08 0.04 0.00 0.00 177.00 176.90 2daf s VAL 97 N -1.71 4.83 0.05 -0.36 1.01 -1.26 -5.02 120.40 117.93 2daf s VAL 97 Ca 0.70 1.54 0.05 0.00 0.00 0.00 0.00 61.98 64.27 2daf s VAL 97 Cb -0.25 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 2daf s VAL 97 CO 0.29 0.35 -0.14 -0.13 0.00 0.00 0.00 175.10 175.47 2daf s ARG 98 N 0.11 0.85 0.22 2.72 0.52 -1.26 -4.76 118.95 117.35 2daf s ARG 98 Ca 0.37 -0.81 -0.32 0.00 -0.52 0.00 0.00 55.73 54.45 2daf s ARG 98 Cb -0.20 -0.85 -0.13 0.00 0.52 0.00 0.00 34.95 34.29 2daf s ARG 98 CO 0.21 0.20 1.46 -2.13 0.02 0.00 0.00 175.30 175.06 2daf n ARG 99 N 1.67 2.08 -2.28 3.54 0.00 -1.26 -4.87 116.66 115.54 2daf n ARG 99 Ca -0.19 0.74 -0.42 0.00 -0.00 0.00 0.00 57.85 57.98 2daf n ARG 99 Cb 0.55 -2.43 -0.03 0.00 0.00 0.00 0.00 32.46 30.55 2daf n ARG 99 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2daf s ILE 100 N 0.19 3.71 -0.02 5.15 1.01 -1.26 -4.86 121.20 125.12 2daf s ILE 100 Ca 0.71 0.64 -0.20 0.00 0.00 0.00 0.00 60.65 61.79 2daf s ILE 100 Cb -0.65 -4.22 -0.29 0.00 0.01 0.00 0.00 42.46 37.31 2daf s ILE 100 CO 0.47 -0.95 0.99 -0.78 0.00 0.00 0.00 174.94 174.66 2daf h ASP 101 N 11.74 0.53 -0.76 3.58 3.58 -1.96 -3.34 116.42 129.79 2daf h ASP 101 Ca -0.28 -0.87 0.13 0.00 0.42 0.00 0.00 57.03 56.43 2daf h ASP 101 Cb 1.11 -0.17 -0.13 0.00 1.72 0.00 0.00 39.33 41.87 2daf h ASP 101 CO 1.14 1.36 -0.27 0.61 -2.88 0.00 0.00 179.24 179.20 2daf n GLY 102 N 1.43 -1.49 3.24 -0.78 0.00 -1.26 -4.51 105.19 101.83 2daf n GLY 102 Ca -0.13 0.84 -0.49 0.00 0.00 0.00 0.00 46.02 46.24 2daf n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2daf n LEU 103 N -5.16 -0.71 0.22 0.99 4.77 -1.26 -4.81 117.00 111.05 2daf n LEU 103 Ca 0.09 1.08 0.06 0.00 -0.03 0.00 0.00 56.01 57.21 2daf n LEU 103 Cb 0.33 -0.88 0.51 0.00 -2.33 0.00 0.00 43.42 41.04 2daf n LEU 103 CO -0.10 -2.41 0.86 0.71 -1.33 0.00 0.00 177.39 175.12 2daf h THR 104 N 1.70 1.03 -2.38 -5.08 1.35 -1.94 -3.41 112.91 104.19 2daf h THR 104 Ca -0.35 -0.82 -0.58 0.00 -0.55 0.00 0.00 66.41 64.11 2daf h THR 104 Cb 1.35 1.46 -0.02 0.00 -1.73 0.00 0.00 68.15 69.21 2daf h THR 104 CO 0.57 0.22 1.37 -1.81 -0.25 0.00 0.00 175.52 175.62 2daf s ASP 105 N -6.77 5.68 0.36 5.36 1.01 -1.26 -4.97 116.67 116.07 2daf s ASP 105 Ca -0.03 1.50 0.07 0.00 0.71 0.00 0.00 52.55 54.80 2daf s ASP 105 Cb 0.15 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.55 2daf s ASP 105 CO 0.68 -1.84 0.49 0.68 0.21 0.00 0.00 175.17 175.38 2daf s VAL 106 N 7.59 3.77 0.19 -1.27 -7.23 -1.26 -5.04 120.40 117.14 2daf s VAL 106 Ca 0.88 -1.02 0.04 0.00 -1.81 0.00 0.00 61.98 60.07 2daf s VAL 106 Cb -0.26 -3.30 -0.05 0.00 0.56 0.00 0.00 36.38 33.34 2daf s VAL 106 CO 0.34 -0.12 -0.05 -0.55 -0.31 0.00 0.00 175.10 174.41 2daf s SER 107 N -4.21 1.79 -0.53 4.85 0.15 -1.26 -5.05 113.70 109.45 2daf s SER 107 Ca 0.47 -1.12 0.02 0.00 0.70 0.00 0.00 55.95 56.02 2daf s SER 107 Cb -0.09 0.01 0.57 0.00 -1.71 0.00 0.00 66.02 64.79 2daf s SER 107 CO 0.31 -0.43 1.92 0.00 1.20 0.00 0.00 173.24 176.25 2daf n GLN 108 N -0.31 2.44 -3.89 5.44 6.02 -1.26 -4.92 117.38 120.91 2daf n GLN 108 Ca -0.07 -3.16 -0.11 0.00 -0.01 0.00 0.00 57.00 53.64 2daf n GLN 108 Cb 0.62 -2.21 -0.13 0.00 1.02 0.00 0.00 30.24 29.54 2daf n GLN 108 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 2daf s ILE 109 N -3.95 0.02 -0.28 5.09 2.07 -1.26 -5.15 121.20 117.74 2daf s ILE 109 Ca 0.59 -0.18 -0.16 0.00 -1.41 0.00 0.00 60.65 59.49 2daf s ILE 109 Cb 0.49 -0.08 0.10 0.00 0.13 0.00 0.00 42.46 43.10 2daf s ILE 109 CO 0.05 -0.10 0.79 -0.51 -1.91 0.00 0.00 174.94 173.26 2daf s ILE 110 N -0.30 -0.03 -0.83 2.00 -1.16 -1.26 -5.10 121.20 114.52 2daf s ILE 110 Ca -0.03 0.00 -0.25 0.00 -0.51 0.00 0.00 60.65 59.86 2daf s ILE 110 Cb -0.02 -1.00 0.01 0.00 0.61 0.00 0.00 42.46 42.06 2daf s ILE 110 CO -0.00 0.00 1.60 0.42 -2.81 0.00 0.00 174.94 174.15 2daf s THR 111 N 1.58 3.64 0.78 4.00 -4.23 -1.26 -4.98 115.64 115.16 2daf s THR 111 Ca -0.09 -0.15 -0.12 0.00 -1.18 0.00 0.00 61.69 60.15 2daf s THR 111 Cb -0.05 -4.54 0.06 0.00 1.34 0.00 0.00 72.50 69.31 2daf s THR 111 CO -0.18 -1.47 1.15 0.68 -0.54 0.00 0.00 174.62 174.26 2daf s VAL 112 N 7.22 2.43 0.26 2.29 -7.23 -1.26 -5.10 120.40 119.01 2daf s VAL 112 Ca 0.53 0.13 0.04 0.00 -1.81 0.00 0.00 61.98 60.87 2daf s VAL 112 Cb -0.06 -3.14 -0.05 0.00 0.56 0.00 0.00 36.38 33.68 2daf s VAL 112 CO 0.05 -0.18 0.01 -0.55 -0.31 0.00 0.00 175.10 174.13 2daf s SER 113 N -4.52 1.99 0.00 4.85 0.15 -1.26 -5.17 113.70 109.75 2daf s SER 113 Ca 0.61 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 56.00 2daf s SER 113 Cb -0.11 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 2daf s SER 113 CO 0.50 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 175.02 2daf n GLY 114 N -0.50 1.86 2.50 9.45 0.00 -1.26 -5.12 105.19 112.12 2daf n GLY 114 Ca -0.04 -2.00 -0.21 0.00 0.00 0.00 0.00 46.02 43.76 2daf n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2daf n PRO 115 N 0.00 -2.55 -4.22 1.61 -0.04 -1.26 -5.10 135.00 123.44 2daf n PRO 115 Ca 0.00 -1.25 -0.17 0.00 -0.04 0.00 0.00 63.50 62.04 2daf n PRO 115 Cb 0.00 -1.17 -0.07 0.00 -0.04 0.00 0.00 33.50 32.22 2daf n PRO 115 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2daf s SER 116 N -3.60 1.26 -0.34 3.54 0.15 -1.26 -5.10 113.70 108.35 2daf s SER 116 Ca 0.51 -1.63 -0.42 0.00 0.70 0.00 0.00 55.95 55.10 2daf s SER 116 Cb -0.05 0.55 -0.17 0.00 -1.71 0.00 0.00 66.02 64.64 2daf s SER 116 CO 0.39 -1.08 1.68 -1.20 1.20 0.00 0.00 173.24 174.22 2daf n SER 117 N -1.31 1.94 0.00 5.45 7.64 -1.26 -5.37 113.62 120.71 2daf n SER 117 Ca 0.05 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.05 2daf n SER 117 Cb 0.63 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 2daf n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64