#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 5.61 -0.29 1.61 0.15 -1.26 -4.89 113.70 114.63 2daf s SER 2 Ca 0.00 -0.02 -0.24 0.00 0.70 0.00 0.00 55.95 56.39 2daf s SER 2 Cb 0.00 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.92 2daf s SER 2 CO 0.00 -2.18 1.18 -0.55 1.20 0.00 0.00 173.24 172.89 2daf s SER 3 N 6.46 -0.31 -0.13 5.45 0.15 -1.26 -5.18 113.70 118.88 2daf s SER 3 Ca 0.55 0.58 -0.29 0.00 0.70 0.00 0.00 55.95 57.49 2daf s SER 3 Cb -0.10 0.63 0.09 0.00 -1.71 0.00 0.00 66.02 64.93 2daf s SER 3 CO 0.17 -0.10 0.79 -0.83 1.20 0.00 0.00 173.24 174.48 2daf s GLY 4 N 0.25 -0.46 0.40 9.45 0.00 -1.26 -5.15 107.32 110.55 2daf s GLY 4 Ca 0.04 1.72 -0.27 0.00 0.00 0.00 0.00 44.72 46.21 2daf s GLY 4 CO -0.10 1.18 1.39 -1.14 0.00 0.00 0.00 173.10 174.44 2daf n SER 5 N 1.28 3.23 -0.10 1.64 3.41 -1.26 -4.91 113.62 116.91 2daf n SER 5 Ca -0.16 1.17 -0.06 0.00 -0.26 0.00 0.00 58.87 59.56 2daf n SER 5 Cb 0.57 -1.57 0.01 0.00 -0.26 0.00 0.00 64.21 62.96 2daf n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2daf h SER 6 N 2.52 0.07 -4.85 4.04 0.87 -2.08 -3.47 113.55 110.64 2daf h SER 6 Ca -0.49 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.06 2daf h SER 6 Cb 1.27 0.05 0.04 0.00 -0.44 0.00 0.00 62.40 63.32 2daf h SER 6 CO 0.62 0.07 -0.18 0.61 -0.53 0.00 0.00 176.83 177.42 2daf n GLY 7 N -1.22 -0.94 3.61 5.77 0.00 -1.26 -4.90 105.19 106.25 2daf n GLY 7 Ca 0.01 0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 2daf n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2daf s GLN 8 N -3.29 3.54 -0.14 1.61 -1.52 -1.26 -4.88 119.66 113.72 2daf s GLN 8 Ca 0.10 1.30 -0.23 0.00 -1.95 0.00 0.00 55.36 54.58 2daf s GLN 8 Cb -0.01 -4.09 -0.21 0.00 -0.22 0.00 0.00 33.01 28.48 2daf s GLN 8 CO 0.58 -1.60 0.56 0.93 -0.25 0.00 0.00 175.29 175.50 2daf h GLU 9 N 11.50 0.00 -5.86 2.91 5.08 -2.04 -3.48 114.58 122.68 2daf h GLU 9 Ca -0.31 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.69 2daf h GLU 9 Cb 1.14 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.51 2daf h GLU 9 CO 1.04 0.83 -0.85 0.43 -1.00 0.00 0.00 179.01 179.46 2daf n SER 10 N -4.61 -3.57 -4.42 1.42 7.64 -1.26 -4.97 113.62 103.85 2daf n SER 10 Ca -0.12 -0.79 -0.38 0.00 1.01 0.00 0.00 58.87 58.59 2daf n SER 10 Cb 0.43 -4.44 -0.12 0.00 -1.01 0.00 0.00 64.21 59.08 2daf n SER 10 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2daf s VAL 11 N -3.50 4.45 -0.88 0.44 1.01 -1.26 -5.04 120.40 115.62 2daf s VAL 11 Ca 0.21 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 2daf s VAL 11 Cb -0.05 -3.25 0.21 0.00 0.00 0.00 0.00 36.38 33.29 2daf s VAL 11 CO 0.79 0.10 0.87 -1.83 0.00 0.00 0.00 175.10 175.03 2daf s GLU 12 N 1.59 3.68 -0.23 2.72 -1.05 -1.26 -4.96 118.70 119.20 2daf s GLU 12 Ca 0.04 -2.45 -0.06 0.00 -0.15 0.00 0.00 54.97 52.36 2daf s GLU 12 Cb -0.17 -4.53 0.11 0.00 -0.44 0.00 0.00 34.13 29.11 2daf s GLU 12 CO 0.05 -1.36 0.44 0.34 0.95 0.00 0.00 175.26 175.68 2daf s ASP 13 N 2.29 -0.27 -1.06 0.83 2.15 -1.26 -4.92 116.67 114.43 2daf s ASP 13 Ca 0.22 0.82 -0.05 0.00 0.43 0.00 0.00 52.55 53.97 2daf s ASP 13 Cb -0.09 1.42 0.01 0.00 -0.30 0.00 0.00 42.92 43.95 2daf s ASP 13 CO -0.09 -0.25 0.91 -1.20 -0.17 0.00 0.00 175.17 174.37 2daf n SER 14 N 5.39 -4.36 -4.83 -0.34 7.64 -1.26 -4.83 113.62 111.04 2daf n SER 14 Ca -0.07 -0.46 -0.36 0.00 1.01 0.00 0.00 58.87 58.99 2daf n SER 14 Cb 0.50 -4.20 -0.06 0.00 -1.01 0.00 0.00 64.21 59.43 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 -5.92 4.37 0.06 -3.43 1.43 -1.26 -2.81 118.68 111.10 2daf s LEU 15 Ca 0.31 1.24 0.04 0.00 -1.03 0.00 0.00 54.13 54.70 2daf s LEU 15 Cb -0.14 -3.35 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 2daf s LEU 15 CO 0.59 0.10 -0.12 0.00 0.23 0.00 0.00 176.35 177.15 2daf s ALA 16 N -1.44 0.93 -0.78 4.21 0.00 -0.92 -0.88 121.76 122.89 2daf s ALA 16 Ca 0.39 -0.88 -0.26 0.00 0.00 0.00 0.00 51.96 51.21 2daf s ALA 16 Cb -0.16 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 22.93 2daf s ALA 16 CO 0.20 0.10 1.36 0.99 0.00 0.00 0.00 175.76 178.41 2daf s THR 17 N -1.24 3.72 -0.35 0.00 2.01 -0.16 -2.73 115.64 116.90 2daf s THR 17 Ca -0.04 0.21 -0.15 0.00 0.31 0.00 0.00 61.69 62.01 2daf s THR 17 Cb -0.10 -4.86 -0.01 0.00 0.01 0.00 0.00 72.50 67.54 2daf s THR 17 CO 0.01 -1.79 0.34 -0.69 -0.69 0.00 0.00 174.62 171.80 2daf s VAL 18 N 5.91 5.19 0.06 3.82 1.01 -1.23 -2.16 120.40 133.00 2daf s VAL 18 Ca 0.39 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 62.09 2daf s VAL 18 Cb -0.07 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.42 2daf s VAL 18 CO 0.11 -0.11 0.62 -0.54 0.00 0.00 0.00 175.10 175.17 2daf s LYS 19 N 1.95 4.30 -0.09 2.72 1.02 -1.04 -3.17 119.74 125.43 2daf s LYS 19 Ca 0.10 0.81 0.04 0.00 0.02 0.00 0.00 55.97 56.94 2daf s LYS 19 Cb -0.17 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 2daf s LYS 19 CO 0.11 0.53 -0.22 0.08 -0.92 0.00 0.00 175.35 174.93 2daf s VAL 20 N -0.78 1.88 -0.09 3.17 1.01 0.65 -1.38 120.40 124.86 2daf s VAL 20 Ca 0.31 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.39 2daf s VAL 20 Cb -0.20 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.56 2daf s VAL 20 CO 0.20 0.52 -0.18 -0.69 0.00 0.00 0.00 175.10 174.95 2daf s VAL 21 N 0.33 1.64 -0.06 2.92 1.01 -0.58 -0.07 120.40 125.59 2daf s VAL 21 Ca -0.16 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 2daf s VAL 21 Cb -0.17 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 2daf s VAL 21 CO 0.07 0.47 1.07 -0.76 0.00 0.00 0.00 175.10 175.95 2daf s LEU 22 N 0.63 4.28 -0.04 3.92 1.43 -0.34 -0.97 118.68 127.60 2daf s LEU 22 Ca -0.14 1.66 -0.17 0.00 -1.03 0.00 0.00 54.13 54.45 2daf s LEU 22 Cb -0.16 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.39 2daf s LEU 22 CO 0.04 -0.45 0.73 0.40 0.23 0.00 0.00 176.35 177.30 2daf h ILE 23 N 4.99 0.24 0.00 -0.59 1.08 -1.57 1.32 117.51 122.97 2daf h ILE 23 Ca -0.34 -0.72 -0.01 0.00 -0.39 0.00 0.00 64.86 63.40 2daf h ILE 23 Cb 1.17 0.39 -0.00 0.00 -3.07 0.00 0.00 36.82 35.30 2daf h ILE 23 CO 0.84 0.06 -0.06 1.55 -0.69 0.00 0.00 178.15 179.85 2daf h PRO 24 N -1.06 0.00 0.00 2.37 0.13 -1.93 -3.34 132.00 128.16 2daf h PRO 24 Ca -0.05 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.01 2daf h PRO 24 Cb 0.46 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 2daf h PRO 24 CO 0.08 0.06 -1.09 0.28 -0.23 0.00 0.00 178.00 177.10 2daf n VAL 25 N -3.20 1.43 0.00 1.56 0.31 -1.24 -5.03 118.33 112.16 2daf n VAL 25 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 2daf n VAL 25 Cb 0.32 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.09 2daf n VAL 25 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2daf n GLY 26 N 1.74 0.41 3.77 2.92 0.00 0.45 -4.99 105.19 109.49 2daf n GLY 26 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.84 2.71 -0.09 1.61 0.74 -1.26 -4.59 119.66 117.96 2daf s GLN 27 Ca 0.00 1.33 0.01 0.00 0.05 0.00 0.00 55.36 56.75 2daf s GLN 27 Cb 0.00 -1.94 -0.03 0.00 1.10 0.00 0.00 33.01 32.14 2daf s GLN 27 CO 0.00 -1.31 -0.10 -1.21 -0.55 0.00 0.00 175.29 172.12 2daf s GLU 28 N -4.28 2.92 -0.01 1.67 2.02 -1.26 -1.20 118.70 118.56 2daf s GLU 28 Ca 0.65 -0.61 0.02 0.00 0.02 0.00 0.00 54.97 55.06 2daf s GLU 28 Cb -0.19 -2.58 -0.00 0.00 0.10 0.00 0.00 34.13 31.45 2daf s GLU 28 CO 0.44 0.52 -0.07 0.42 0.02 0.00 0.00 175.26 176.59 2daf s ILE 29 N -0.43 0.60 -0.14 -1.63 1.01 0.89 -5.00 121.20 116.51 2daf s ILE 29 Ca 0.06 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.41 2daf s ILE 29 Cb -0.12 -0.51 0.01 0.00 0.01 0.00 0.00 42.46 41.84 2daf s ILE 29 CO 0.02 0.17 -0.20 -0.69 0.00 0.00 0.00 174.94 174.24 2daf s VAL 30 N -0.12 2.22 -0.13 2.92 1.01 -1.26 -0.25 120.40 124.79 2daf s VAL 30 Ca 0.02 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 2daf s VAL 30 Cb -0.04 -1.90 0.05 0.00 0.00 0.00 0.00 36.38 34.49 2daf s VAL 30 CO -0.00 0.54 0.33 -0.51 0.00 0.00 0.00 175.10 175.46 2daf s ILE 31 N 0.76 -0.02 0.05 2.22 2.07 -1.19 -5.05 121.20 120.04 2daf s ILE 31 Ca -0.08 0.08 -0.31 0.00 -1.41 0.00 0.00 60.65 58.93 2daf s ILE 31 Cb -0.16 -0.48 -0.07 0.00 0.13 0.00 0.00 42.46 41.88 2daf s ILE 31 CO -0.00 0.03 1.41 -2.16 -1.91 0.00 0.00 174.94 172.31 2daf s PRO 32 N 0.91 4.30 -0.00 3.50 0.04 -1.26 -3.54 135.00 138.94 2daf s PRO 32 Ca -0.06 2.03 0.05 0.00 0.04 0.00 0.00 61.00 63.06 2daf s PRO 32 Cb -0.07 -3.44 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 2daf s PRO 32 CO -0.07 -0.52 -0.16 0.12 0.04 0.00 0.00 177.00 176.41 2daf s PHE 33 N 1.87 1.41 -0.19 0.56 5.36 -1.10 -4.97 117.98 120.92 2daf s PHE 33 Ca 0.65 -0.28 -0.29 0.00 -0.96 0.00 0.00 56.93 56.05 2daf s PHE 33 Cb -0.34 -0.89 0.00 0.00 -0.34 0.00 0.00 43.02 41.45 2daf s PHE 33 CO 0.29 -0.01 1.01 0.15 -1.46 0.00 0.00 175.22 175.20 2daf s LYS 34 N -0.52 4.31 0.63 10.12 3.01 -1.26 -2.17 119.74 133.86 2daf s LYS 34 Ca 0.06 1.33 0.35 0.00 -1.01 0.00 0.00 55.97 56.70 2daf s LYS 34 Cb -0.06 -3.60 1.98 0.00 -1.01 0.00 0.00 37.83 35.14 2daf s LYS 34 CO -0.00 -0.50 2.22 -0.39 0.51 0.00 0.00 175.35 177.19 2daf h VAL 35 N 5.32 0.26 -0.00 3.17 -1.51 -1.84 0.31 116.25 121.96 2daf h VAL 35 Ca -0.24 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 2daf h VAL 35 Cb 1.09 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 2daf h VAL 35 CO 0.93 0.00 -0.43 -0.90 -1.23 0.00 0.00 177.57 175.93 2daf n ASP 36 N -3.45 0.57 -4.67 4.19 5.68 -1.26 -2.02 116.55 115.58 2daf n ASP 36 Ca -0.02 -0.34 -0.38 0.00 -0.50 0.00 0.00 54.79 53.56 2daf n ASP 36 Cb 0.17 0.20 -0.07 0.00 -1.14 0.00 0.00 41.12 40.28 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 -2.91 5.20 1.04 2.12 2.01 0.11 -4.95 115.64 118.26 2daf s THR 37 Ca 0.14 0.71 -0.21 0.00 0.31 0.00 0.00 61.69 62.64 2daf s THR 37 Cb 0.18 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 2daf s THR 37 CO 0.66 0.25 -0.54 2.30 -0.69 0.00 0.00 174.62 176.60 2daf n ILE 38 N 4.35 0.00 0.01 1.82 -5.35 -1.26 -4.43 119.36 114.51 2daf n ILE 38 Ca -0.08 -0.21 -0.19 0.00 -0.27 0.00 0.00 62.75 61.99 2daf n ILE 38 Cb 0.51 -0.34 -0.09 0.00 -1.74 0.00 0.00 39.64 37.98 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 -1.52 0.89 -0.83 7.28 3.38 -1.44 -3.33 115.31 119.75 2daf h LEU 39 Ca -0.46 -0.70 0.10 0.00 0.09 0.00 0.00 57.88 56.91 2daf h LEU 39 Cb 1.35 -0.27 -0.12 0.00 0.09 0.00 0.00 40.66 41.72 2daf h LEU 39 CO 0.30 1.46 -0.41 1.17 0.09 0.00 0.00 178.44 181.06 2daf n LYS 40 N -3.93 -0.28 -0.34 1.13 4.81 -1.24 -0.35 118.16 117.96 2daf n LYS 40 Ca -0.10 1.26 -0.08 0.00 -0.87 0.00 0.00 58.31 58.53 2daf n LYS 40 Cb 0.81 -1.87 -0.06 0.00 0.02 0.00 0.00 35.03 33.93 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 -5.12 -0.29 -0.31 5.64 4.02 -1.25 0.13 117.16 119.97 2daf n TYR 41 Ca 0.05 1.02 -0.01 0.00 -0.01 0.00 0.00 57.90 58.95 2daf n TYR 41 Cb 0.27 -0.61 0.12 0.00 -0.02 0.00 0.00 39.34 39.11 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 0.89 0.03 7.72 5.85 -0.90 -1.86 115.31 127.04 2daf h LEU 42 Ca 0.16 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.90 2daf h LEU 42 Cb 0.36 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2daf h LEU 42 CO -0.77 0.60 -0.15 0.50 -0.34 0.00 0.00 178.44 178.27 2daf h LYS 43 N 1.04 -0.25 -0.74 1.25 3.64 0.17 -2.44 116.57 119.24 2daf h LYS 43 Ca 0.36 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.81 2daf h LYS 43 Cb 0.07 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 2daf h LYS 43 CO -0.14 -0.17 0.44 -0.44 -2.27 0.00 0.00 179.45 176.87 2daf h ASP 44 N -0.26 0.68 -1.06 4.20 3.32 -0.41 0.64 116.42 123.53 2daf h ASP 44 Ca 0.04 0.02 0.28 0.00 0.02 0.00 0.00 57.03 57.39 2daf h ASP 44 Cb 0.31 -0.12 -0.08 0.00 0.22 0.00 0.00 39.33 39.66 2daf h ASP 44 CO -0.12 0.45 0.70 -0.74 -1.72 0.00 0.00 179.24 177.81 2daf h HIS 45 N 0.82 0.49 0.00 4.55 2.76 -0.86 -0.95 115.15 121.96 2daf h HIS 45 Ca 0.32 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.51 2daf h HIS 45 Cb 0.14 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 28.96 2daf h HIS 45 CO -0.05 0.04 -0.30 1.19 -1.30 0.00 0.00 177.93 177.51 2daf n PHE 46 N -4.52 0.45 -0.27 5.26 3.01 -0.54 -3.56 117.46 117.30 2daf n PHE 46 Ca 0.25 0.20 0.03 0.00 1.01 0.00 0.00 57.45 58.94 2daf n PHE 46 Cb 0.96 -0.50 0.08 0.00 -0.01 0.00 0.00 39.48 40.01 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 -3.52 -0.31 0.15 4.37 2.88 0.11 0.87 113.62 118.16 2daf n SER 47 Ca -0.04 1.25 -0.14 0.00 -1.33 0.00 0.00 58.87 58.61 2daf n SER 47 Cb 0.15 -0.36 -0.08 0.00 -0.75 0.00 0.00 64.21 63.18 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 -0.30 0.73 0.66 2.07 -1.31 -1.27 115.15 115.74 2daf h HIS 48 Ca 0.33 -0.01 -0.04 0.00 -2.85 0.00 0.00 60.37 57.80 2daf h HIS 48 Cb 0.51 0.10 0.01 0.00 2.57 0.00 0.00 27.41 30.59 2daf h HIS 48 CO -0.58 -0.13 -0.35 1.25 -3.07 0.00 0.00 177.93 175.05 2daf h LEU 49 N -0.40 -0.83 -1.62 6.12 7.12 0.43 -2.36 115.31 123.77 2daf h LEU 49 Ca -0.03 0.03 0.14 0.00 0.13 0.00 0.00 57.88 58.15 2daf h LEU 49 Cb 0.30 0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.63 2daf h LEU 49 CO 0.05 -0.59 0.67 -0.07 -0.13 0.00 0.00 178.44 178.37 2daf h LEU 50 N -0.99 0.00 0.00 2.25 3.38 0.09 -3.44 115.31 116.60 2daf h LEU 50 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2daf h LEU 50 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2daf h LEU 50 CO 0.17 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.31 2daf n GLY 51 N -1.51 3.13 3.84 0.83 0.00 -0.52 -4.92 105.19 106.05 2daf n GLY 51 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.66 4.61 0.52 -0.61 -4.36 -0.97 -4.89 121.20 112.85 2daf s ILE 52 Ca 0.00 1.06 -0.21 0.00 -0.26 0.00 0.00 60.65 61.25 2daf s ILE 52 Cb 0.00 -3.63 -0.06 0.00 1.25 0.00 0.00 42.46 40.01 2daf s ILE 52 CO 0.00 -0.31 1.14 -2.16 0.24 0.00 0.00 174.94 173.85 2daf s PRO 53 N -3.25 3.48 0.37 0.37 0.04 -1.26 -4.03 135.00 130.72 2daf s PRO 53 Ca 0.56 1.66 0.28 0.00 0.04 0.00 0.00 61.00 63.54 2daf s PRO 53 Cb -0.10 -2.13 1.14 0.00 0.04 0.00 0.00 34.50 33.46 2daf s PRO 53 CO 0.19 -0.75 1.82 1.12 0.04 0.00 0.00 177.00 179.42 2daf h HIS 54 N 1.46 0.00 0.34 0.56 2.07 -1.87 -3.16 115.15 114.56 2daf h HIS 54 Ca -0.50 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.02 2daf h HIS 54 Cb 1.26 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.20 2daf h HIS 54 CO 0.52 0.00 -0.52 0.77 -3.07 0.00 0.00 177.93 175.63 2daf h SER 55 N 0.00 -1.49 -0.33 3.10 0.02 -2.00 -2.96 113.55 109.89 2daf h SER 55 Ca 0.00 0.14 -0.15 0.00 -0.84 0.00 0.00 61.79 60.93 2daf h SER 55 Cb 0.41 0.52 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 2daf h SER 55 CO 0.00 -0.63 -0.39 -0.37 -1.14 0.00 0.00 176.83 174.31 2daf h VAL 56 N -0.91 1.28 -3.75 2.27 -1.51 -1.97 -3.44 116.25 108.23 2daf h VAL 56 Ca -0.04 -1.56 -0.52 0.00 -1.23 0.00 0.00 66.70 63.34 2daf h VAL 56 Cb 0.83 1.52 0.06 0.00 -2.13 0.00 0.00 31.29 31.57 2daf h VAL 56 CO -0.16 0.51 0.67 -0.22 -1.23 0.00 0.00 177.57 177.14 2daf s LEU 57 N -8.87 4.41 0.17 4.19 2.96 -1.12 -2.64 118.68 117.78 2daf s LEU 57 Ca -0.11 2.69 -0.05 0.00 -0.22 0.00 0.00 54.13 56.43 2daf s LEU 57 Cb 0.10 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 2daf s LEU 57 CO 0.87 -0.59 0.20 -1.10 -1.32 0.00 0.00 176.35 174.41 2daf s GLN 58 N -1.41 1.12 0.26 1.98 -0.21 -0.83 -4.81 119.66 115.76 2daf s GLN 58 Ca 0.52 -1.34 0.11 0.00 0.02 0.00 0.00 55.36 54.67 2daf s GLN 58 Cb -0.40 0.32 -0.05 0.00 1.00 0.00 0.00 33.01 33.88 2daf s GLN 58 CO 0.51 -0.38 -0.19 0.42 -2.12 0.00 0.00 175.29 173.52 2daf s ILE 59 N -4.03 2.37 -0.05 1.08 1.01 -1.26 -2.93 121.20 117.39 2daf s ILE 59 Ca 0.23 -2.36 0.00 0.00 0.00 0.00 0.00 60.65 58.53 2daf s ILE 59 Cb 0.05 -2.25 0.02 0.00 0.01 0.00 0.00 42.46 40.29 2daf s ILE 59 CO 0.03 -0.41 -0.02 -0.60 0.00 0.00 0.00 174.94 173.94 2daf s ARG 60 N -3.47 0.63 -0.07 2.79 3.52 -1.02 -3.95 118.95 117.38 2daf s ARG 60 Ca 0.28 -0.00 -0.03 0.00 -0.13 0.00 0.00 55.73 55.85 2daf s ARG 60 Cb -0.05 -0.78 0.04 0.00 -1.56 0.00 0.00 34.95 32.61 2daf s ARG 60 CO 0.14 -0.15 0.13 -0.47 -0.81 0.00 0.00 175.30 174.14 2daf s TYR 61 N 1.21 -0.13 -1.02 5.12 5.04 -0.94 -3.00 117.35 123.63 2daf s TYR 61 Ca -0.07 0.48 0.00 0.00 -2.44 0.00 0.00 57.07 55.05 2daf s TYR 61 Cb -0.14 -0.20 0.00 0.00 0.35 0.00 0.00 41.96 41.98 2daf s TYR 61 CO -0.02 -0.20 0.00 0.45 -1.34 0.00 0.00 175.55 174.44 2daf n SER 62 N 4.73 -3.81 0.00 4.32 2.88 -1.26 -2.23 113.62 118.25 2daf n SER 62 Ca -0.16 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 2daf n SER 62 Cb 0.51 -3.01 0.00 0.00 -0.75 0.00 0.00 64.21 60.96 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 -1.03 0.39 3.47 0.46 0.00 -1.26 -4.96 105.19 102.26 2daf n GLY 63 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.68 2.12 -0.15 1.61 -2.85 -0.95 -5.10 119.74 113.75 2daf s LYS 64 Ca 0.00 -0.96 -0.29 0.00 -1.00 0.00 0.00 55.97 53.72 2daf s LYS 64 Cb 0.00 -2.22 -0.00 0.00 -2.06 0.00 0.00 37.83 33.54 2daf s LYS 64 CO 0.00 0.55 1.02 0.42 0.10 0.00 0.00 175.35 177.43 2daf s ILE 65 N -0.94 4.75 0.80 3.79 -1.09 -1.26 -2.20 121.20 125.05 2daf s ILE 65 Ca 0.15 2.04 -0.05 0.00 -2.23 0.00 0.00 60.65 60.56 2daf s ILE 65 Cb -0.11 -4.31 0.16 0.00 -1.58 0.00 0.00 42.46 36.62 2daf s ILE 65 CO 0.06 -0.06 1.10 -0.76 -1.23 0.00 0.00 174.94 174.05 2daf s LEU 66 N 2.41 2.89 0.40 2.97 1.43 -1.25 -5.01 118.68 122.52 2daf s LEU 66 Ca 0.47 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.35 2daf s LEU 66 Cb -0.17 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2daf s LEU 66 CO 0.14 -2.18 0.18 -0.54 0.23 0.00 0.00 176.35 174.18 2daf s LYS 67 N -5.37 1.92 -0.07 1.70 3.01 -1.26 -4.87 119.74 114.79 2daf s LYS 67 Ca 0.70 -2.16 -0.08 0.00 -1.01 0.00 0.00 55.97 53.42 2daf s LYS 67 Cb -0.04 -0.32 -0.04 0.00 -1.01 0.00 0.00 37.83 36.42 2daf s LYS 67 CO 0.47 -0.56 0.32 -2.95 0.51 0.00 0.00 175.35 173.14 2daf h ASN 68 N 1.85 -0.23 0.00 2.83 -1.07 -1.99 -3.23 115.58 113.73 2daf h ASN 68 Ca -0.32 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.06 2daf h ASN 68 Cb 1.26 0.06 0.00 0.00 -2.07 0.00 0.00 38.32 37.57 2daf h ASN 68 CO 0.49 0.23 0.09 -0.46 0.07 0.00 0.00 177.43 177.86 2daf n ASN 69 N -4.94 0.27 -4.75 6.14 6.94 -1.26 -3.35 115.26 114.30 2daf n ASN 69 Ca -0.03 0.57 -0.40 0.00 -0.02 0.00 0.00 54.58 54.70 2daf n ASN 69 Cb 0.11 -0.59 -0.05 0.00 -2.36 0.00 0.00 39.78 36.89 2daf n ASN 69 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2daf s GLU 70 N -3.20 4.69 0.09 -3.83 0.41 -1.22 -4.93 118.70 110.71 2daf s GLU 70 Ca -0.01 1.69 0.07 0.00 -0.41 0.00 0.00 54.97 56.31 2daf s GLU 70 Cb 0.03 -3.24 -0.04 0.00 -1.78 0.00 0.00 34.13 29.10 2daf s GLU 70 CO 0.10 0.26 -0.11 0.99 -0.49 0.00 0.00 175.26 176.01 2daf s THR 71 N -0.91 3.30 0.16 3.63 2.01 -1.26 -2.16 115.64 120.41 2daf s THR 71 Ca 0.45 -1.24 -0.16 0.00 0.31 0.00 0.00 61.69 61.05 2daf s THR 71 Cb -0.29 -2.52 0.05 0.00 0.01 0.00 0.00 72.50 69.74 2daf s THR 71 CO 0.37 0.15 1.73 -0.07 -0.69 0.00 0.00 174.62 176.11 2daf h LEU 72 N 3.77 0.00 -1.50 4.42 -0.00 -1.77 -1.17 115.31 119.07 2daf h LEU 72 Ca -0.49 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.46 2daf h LEU 72 Cb 1.17 0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 41.89 2daf h LEU 72 CO 0.51 0.04 0.29 -0.37 -0.00 0.00 0.00 178.44 178.92 2daf h VAL 73 N 0.20 1.13 0.00 1.22 -1.51 -1.56 -0.88 116.25 114.85 2daf h VAL 73 Ca 0.18 -0.27 -0.04 0.00 -1.23 0.00 0.00 66.70 65.35 2daf h VAL 73 Cb 0.22 0.45 -0.01 0.00 -2.13 0.00 0.00 31.29 29.83 2daf h VAL 73 CO -0.24 0.13 -0.17 1.56 -1.23 0.00 0.00 177.57 177.62 2daf h GLN 74 N 0.64 0.00 0.00 5.19 4.20 -1.52 -2.41 115.11 121.21 2daf h GLN 74 Ca 0.17 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.67 2daf h GLN 74 Cb -0.04 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 2daf h GLN 74 CO -0.03 0.17 -1.34 0.45 -0.67 0.00 0.00 178.83 177.40 2daf h HIS 75 N 0.00 0.00 0.00 2.96 3.86 -0.75 -3.48 115.15 117.74 2daf h HIS 75 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2daf h HIS 75 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 2daf h HIS 75 CO 0.00 0.81 0.00 0.41 0.86 0.00 0.00 177.93 180.01 2daf n GLY 76 N 1.43 0.77 3.11 2.45 0.00 -0.64 -5.12 105.19 107.19 2daf n GLY 76 Ca -0.09 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 1.67 0.26 1.61 1.01 -0.97 -4.98 120.40 119.00 2daf s VAL 77 Ca 0.00 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.27 2daf s VAL 77 Cb 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 2daf s VAL 77 CO 0.00 0.48 0.34 -0.54 0.00 0.00 0.00 175.10 175.38 2daf s LYS 78 N 0.73 3.29 0.53 2.72 -0.14 -1.26 -4.11 119.74 121.50 2daf s LYS 78 Ca -0.11 -0.86 -0.20 0.00 -1.36 0.00 0.00 55.97 53.44 2daf s LYS 78 Cb -0.16 -2.81 -0.06 0.00 -1.68 0.00 0.00 37.83 33.12 2daf s LYS 78 CO 0.02 0.37 1.13 -1.25 -0.76 0.00 0.00 175.35 174.87 2daf s PRO 79 N -3.98 3.42 -0.89 -1.68 0.04 -1.26 -3.76 135.00 126.90 2daf s PRO 79 Ca 0.35 1.64 -0.03 0.00 0.04 0.00 0.00 61.00 63.00 2daf s PRO 79 Cb -0.09 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2daf s PRO 79 CO 0.28 -0.80 0.76 1.04 0.04 0.00 0.00 177.00 178.33 2daf n GLN 80 N -1.17 -5.11 -4.29 4.56 6.02 -0.06 -4.97 117.38 112.36 2daf n GLN 80 Ca 0.11 0.59 -0.16 0.00 -0.01 0.00 0.00 57.00 57.52 2daf n GLN 80 Cb 0.50 -4.86 -0.10 0.00 1.02 0.00 0.00 30.24 26.81 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 -5.44 1.18 -0.18 -1.09 -1.05 -1.25 -4.96 118.70 105.91 2daf s GLU 81 Ca 0.21 -1.52 -0.03 0.00 -0.15 0.00 0.00 54.97 53.48 2daf s GLU 81 Cb -0.09 -0.83 -0.02 0.00 -0.44 0.00 0.00 34.13 32.76 2daf s GLU 81 CO 0.51 0.11 -0.05 0.42 0.95 0.00 0.00 175.26 177.20 2daf s ILE 82 N -3.19 3.52 0.40 1.83 1.01 -1.26 -0.98 121.20 122.53 2daf s ILE 82 Ca 0.19 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.41 2daf s ILE 82 Cb 0.01 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 2daf s ILE 82 CO 0.03 0.46 0.09 0.68 0.00 0.00 0.00 174.94 176.20 2daf s VAL 83 N 0.89 0.87 -0.03 2.92 -7.23 -0.92 -5.03 120.40 111.88 2daf s VAL 83 Ca -0.01 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.15 2daf s VAL 83 Cb -0.15 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.37 2daf s VAL 83 CO 0.01 0.00 0.05 -1.58 -0.31 0.00 0.00 175.10 173.27 2daf s GLN 84 N -3.78 -0.03 0.04 4.82 0.74 -1.26 -2.50 119.66 117.68 2daf s GLN 84 Ca 0.25 0.25 0.02 0.00 0.05 0.00 0.00 55.36 55.93 2daf s GLN 84 Cb 0.04 -0.29 -0.02 0.00 1.10 0.00 0.00 33.01 33.84 2daf s GLN 84 CO 0.13 -0.20 -0.08 0.14 -0.55 0.00 0.00 175.29 174.73 2daf s VAL 85 N 1.30 0.59 -0.08 1.34 -7.23 -0.48 -4.80 120.40 111.04 2daf s VAL 85 Ca -0.06 -0.95 0.01 0.00 -1.81 0.00 0.00 61.98 59.17 2daf s VAL 85 Cb -0.13 -0.62 -0.03 0.00 0.56 0.00 0.00 36.38 36.17 2daf s VAL 85 CO -0.03 -0.26 -0.09 -1.61 -0.31 0.00 0.00 175.10 172.80 2daf s GLU 86 N -1.32 2.83 -0.04 4.82 2.02 -1.16 -1.52 118.70 124.33 2daf s GLU 86 Ca -0.07 -0.59 0.02 0.00 0.02 0.00 0.00 54.97 54.36 2daf s GLU 86 Cb -0.09 -2.58 -0.03 0.00 0.10 0.00 0.00 34.13 31.54 2daf s GLU 86 CO 0.00 0.58 -0.08 0.42 0.02 0.00 0.00 175.26 176.21 2daf s ILE 87 N -0.59 3.60 0.32 -1.63 1.01 -0.14 -2.43 121.20 121.35 2daf s ILE 87 Ca 0.09 -0.63 -0.17 0.00 0.00 0.00 0.00 60.65 59.94 2daf s ILE 87 Cb -0.12 -2.50 0.03 0.00 0.01 0.00 0.00 42.46 39.88 2daf s ILE 87 CO 0.02 0.52 0.72 0.72 0.00 0.00 0.00 174.94 176.91 2daf s PHE 88 N -0.88 0.04 -0.04 3.97 -0.12 -1.15 -1.36 117.98 118.45 2daf s PHE 88 Ca 0.14 -0.57 0.04 0.00 -0.05 0.00 0.00 56.93 56.49 2daf s PHE 88 Cb -0.11 0.68 -0.00 0.00 -0.63 0.00 0.00 43.02 42.96 2daf s PHE 88 CO 0.04 -1.35 -0.16 0.45 -0.05 0.00 0.00 175.22 174.14 2daf s SER 89 N -3.00 2.06 0.16 1.98 0.15 -1.26 -1.96 113.70 111.82 2daf s SER 89 Ca 0.15 -0.34 -0.09 0.00 0.70 0.00 0.00 55.95 56.37 2daf s SER 89 Cb -0.05 -0.58 0.01 0.00 -1.71 0.00 0.00 66.02 63.69 2daf s SER 89 CO 0.10 0.14 1.53 0.71 1.20 0.00 0.00 173.24 176.92 2daf h THR 90 N 5.29 1.27 -3.35 6.45 1.35 -1.85 -3.35 112.91 118.71 2daf h THR 90 Ca -0.32 -1.45 -0.71 0.00 -0.55 0.00 0.00 66.41 63.37 2daf h THR 90 Cb 1.17 1.24 -0.35 0.00 -1.73 0.00 0.00 68.15 68.49 2daf h THR 90 CO 0.48 0.49 -0.07 0.20 -0.25 0.00 0.00 175.52 176.38 2daf s ASN 91 N -6.78 6.07 0.36 5.36 -0.87 -1.26 -4.88 114.94 112.94 2daf s ASN 91 Ca -0.11 -3.66 0.15 0.00 -1.57 0.00 0.00 52.86 47.67 2daf s ASN 91 Cb 0.12 -1.93 0.66 0.00 -0.02 0.00 0.00 41.25 40.08 2daf s ASN 91 CO 0.87 -0.20 1.76 1.55 -2.57 0.00 0.00 177.10 178.51 2daf h PRO 92 N 6.13 0.00 -0.33 -0.60 0.13 -1.74 0.39 132.00 135.98 2daf h PRO 92 Ca 0.15 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.12 2daf h PRO 92 Cb 0.83 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 2daf h PRO 92 CO 0.86 0.42 -0.43 -0.44 -0.23 0.00 0.00 178.00 178.18 2daf h ASP 93 N 0.00 0.94 0.00 1.44 5.19 -1.95 -2.34 116.42 119.70 2daf h ASP 93 Ca -0.00 -0.50 -0.15 0.00 -0.62 0.00 0.00 57.03 55.76 2daf h ASP 93 Cb 0.82 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 2daf h ASP 93 CO 0.06 1.25 -0.84 -0.07 -3.12 0.00 0.00 179.24 176.51 2daf h LEU 94 N 0.66 0.00 -6.77 1.55 3.38 -1.95 -3.43 115.31 108.75 2daf h LEU 94 Ca 0.04 -0.63 -0.61 0.00 0.09 0.00 0.00 57.88 56.77 2daf h LEU 94 Cb 1.03 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.37 2daf h LEU 94 CO 0.10 1.31 -0.73 -1.22 0.09 0.00 0.00 178.44 177.99 2daf n TYR 95 N -4.50 1.71 -1.76 1.13 4.02 0.14 -5.11 117.16 112.79 2daf n TYR 95 Ca -0.24 -3.94 -0.33 0.00 -0.01 0.00 0.00 57.90 53.38 2daf n TYR 95 Cb 0.60 -0.30 0.05 0.00 -0.02 0.00 0.00 39.34 39.66 2daf n TYR 95 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2daf s PRO 96 N -0.97 2.81 0.00 -0.72 0.04 -0.88 -4.27 135.00 131.02 2daf s PRO 96 Ca 0.29 1.39 -0.14 0.00 0.04 0.00 0.00 61.00 62.57 2daf s PRO 96 Cb -0.00 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 2daf s PRO 96 CO -0.17 -1.24 0.40 0.08 0.04 0.00 0.00 177.00 176.11 2daf s VAL 97 N -2.34 5.04 0.50 -0.36 1.01 -1.26 -4.92 120.40 118.07 2daf s VAL 97 Ca 0.67 0.82 0.01 0.00 0.00 0.00 0.00 61.98 63.48 2daf s VAL 97 Cb -0.20 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 2daf s VAL 97 CO 0.41 0.57 0.05 0.54 0.00 0.00 0.00 175.10 176.68 2daf n ARG 98 N 1.79 0.67 -3.75 2.72 1.74 -1.26 -4.84 116.66 113.73 2daf n ARG 98 Ca -0.14 -3.77 -0.27 0.00 -0.77 0.00 0.00 57.85 52.90 2daf n ARG 98 Cb 0.52 1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 33.28 2daf n ARG 98 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2daf s ARG 99 N -3.81 3.50 -0.04 5.56 1.70 -1.26 -4.98 118.95 119.61 2daf s ARG 99 Ca 0.07 -0.42 0.03 0.00 -0.47 0.00 0.00 55.73 54.94 2daf s ARG 99 Cb 0.00 -2.86 0.01 0.00 -0.57 0.00 0.00 34.95 31.53 2daf s ARG 99 CO 0.05 0.42 -0.11 0.42 -1.08 0.00 0.00 175.30 175.00 2daf s ILE 100 N -1.86 0.97 -0.49 4.99 1.01 -1.26 -5.07 121.20 119.49 2daf s ILE 100 Ca 0.37 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.62 2daf s ILE 100 Cb -0.11 -0.87 0.13 0.00 0.01 0.00 0.00 42.46 41.62 2daf s ILE 100 CO 0.29 0.30 0.25 -1.81 0.00 0.00 0.00 174.94 173.98 2daf s ASP 101 N 0.36 4.04 -0.01 3.58 1.01 -1.26 -4.90 116.67 119.50 2daf s ASP 101 Ca -0.07 -2.85 0.18 0.00 0.71 0.00 0.00 52.55 50.52 2daf s ASP 101 Cb -0.12 -1.39 -0.24 0.00 1.01 0.00 0.00 42.92 42.18 2daf s ASP 101 CO 0.02 -0.25 0.58 0.61 0.21 0.00 0.00 175.17 176.34 2daf n GLY 102 N 3.29 -0.76 3.10 0.21 0.00 -1.26 -5.00 105.19 104.78 2daf n GLY 102 Ca 0.06 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 2daf n GLY 102 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2daf s LEU 103 N -3.56 2.47 0.46 0.99 2.34 -1.26 -5.14 118.68 114.97 2daf s LEU 103 Ca -0.00 -0.94 -0.23 0.00 0.06 0.00 0.00 54.13 53.02 2daf s LEU 103 Cb 0.13 0.09 -0.07 0.00 -0.56 0.00 0.00 46.19 45.77 2daf s LEU 103 CO 0.75 -0.52 1.18 0.28 -1.06 0.00 0.00 176.35 176.98 2daf s THR 104 N -3.52 3.04 0.68 5.48 -1.32 -1.26 -5.04 115.64 113.71 2daf s THR 104 Ca 0.06 0.79 -0.04 0.00 -1.21 0.00 0.00 61.69 61.29 2daf s THR 104 Cb 0.05 -3.40 0.07 0.00 -1.51 0.00 0.00 72.50 67.71 2daf s THR 104 CO -0.07 -0.00 0.97 -1.81 -2.21 0.00 0.00 174.62 171.49 2daf s ASP 105 N -1.31 4.76 -0.28 8.08 1.01 -1.26 -5.07 116.67 122.61 2daf s ASP 105 Ca 0.63 0.21 -0.11 0.00 0.71 0.00 0.00 52.55 53.99 2daf s ASP 105 Cb -0.30 -0.84 -0.05 0.00 1.01 0.00 0.00 42.92 42.75 2daf s ASP 105 CO 0.36 -1.59 0.18 0.54 0.21 0.00 0.00 175.17 174.87 2daf s VAL 106 N -3.15 5.18 0.19 -1.27 0.11 -1.26 -5.04 120.40 115.16 2daf s VAL 106 Ca 0.61 0.11 -0.23 0.00 -2.93 0.00 0.00 61.98 59.55 2daf s VAL 106 Cb -0.09 -3.47 0.07 0.00 -1.53 0.00 0.00 36.38 31.35 2daf s VAL 106 CO 0.43 0.25 0.98 -0.44 -3.33 0.00 0.00 175.10 173.00 2daf s SER 107 N 1.74 -0.08 -0.17 3.54 0.01 -1.26 -5.07 113.70 112.41 2daf s SER 107 Ca 0.07 -0.59 0.06 0.00 1.31 0.00 0.00 55.95 56.80 2daf s SER 107 Cb -0.16 0.53 -0.15 0.00 0.21 0.00 0.00 66.02 66.45 2daf s SER 107 CO 0.10 -1.01 -0.08 0.00 0.41 0.00 0.00 173.24 172.66 2daf n GLN 108 N -0.58 0.91 -3.60 12.44 1.13 -1.26 -5.06 117.38 121.36 2daf n GLN 108 Ca -0.05 0.06 -0.09 0.00 -1.94 0.00 0.00 57.00 54.98 2daf n GLN 108 Cb 0.60 -1.38 -0.06 0.00 0.11 0.00 0.00 30.24 29.51 2daf n GLN 108 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 2daf s ILE 109 N -2.37 0.00 -0.01 5.09 1.10 -1.26 -4.91 121.20 118.84 2daf s ILE 109 Ca -0.18 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 59.97 2daf s ILE 109 Cb 0.06 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.67 2daf s ILE 109 CO 0.51 0.00 -0.04 -0.51 -2.11 0.00 0.00 174.94 172.79 2daf s ILE 110 N -0.71 0.36 0.00 2.00 1.10 -1.26 -5.07 121.20 117.62 2daf s ILE 110 Ca 0.01 -0.17 0.00 0.00 -0.51 0.00 0.00 60.65 59.98 2daf s ILE 110 Cb -0.02 -0.32 0.00 0.00 0.15 0.00 0.00 42.46 42.27 2daf s ILE 110 CO -0.02 0.12 0.66 0.35 -2.11 0.00 0.00 174.94 173.94 2daf n THR 111 N 3.14 0.00 -0.54 4.00 -2.24 -1.26 -4.47 114.28 112.91 2daf n THR 111 Ca -0.15 1.03 -0.29 0.00 -2.27 0.00 0.00 64.05 62.37 2daf n THR 111 Cb 0.57 -1.40 0.23 0.00 -2.10 0.00 0.00 70.33 67.63 2daf n THR 111 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2daf n VAL 112 N -2.36 0.00 -4.97 2.28 0.24 -1.26 -5.02 118.33 107.23 2daf n VAL 112 Ca 0.00 -0.38 -0.32 0.00 -2.04 0.00 0.00 64.34 61.60 2daf n VAL 112 Cb 0.00 -0.91 -0.14 0.00 -1.47 0.00 0.00 33.84 31.33 2daf n VAL 112 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2daf s SER 113 N -2.30 3.83 0.00 -1.34 0.01 -1.26 -4.87 113.70 107.77 2daf s SER 113 Ca 0.66 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.66 2daf s SER 113 Cb -0.23 -0.81 0.00 0.00 0.21 0.00 0.00 66.02 65.20 2daf s SER 113 CO 0.65 0.33 0.00 0.61 0.41 0.00 0.00 173.24 175.24 2daf n GLY 114 N 2.42 -1.33 0.00 3.44 0.00 -1.26 -4.93 105.19 103.53 2daf n GLY 114 Ca -0.17 0.46 0.07 0.00 0.00 0.00 0.00 46.02 46.38 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 0.05 -3.21 1.61 -0.04 -1.26 -4.72 135.00 127.43 2daf n PRO 115 Ca 0.00 0.23 -0.39 0.00 -0.04 0.00 0.00 63.50 63.30 2daf n PRO 115 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 -2.89 7.09 0.13 3.54 0.15 -1.26 -4.95 113.70 115.50 2daf s SER 116 Ca 0.09 1.30 -0.30 0.00 0.70 0.00 0.00 55.95 57.73 2daf s SER 116 Cb 0.09 -2.38 -0.06 0.00 -1.71 0.00 0.00 66.02 61.96 2daf s SER 116 CO 0.25 0.21 0.98 -0.44 1.20 0.00 0.00 173.24 175.45 2daf s SER 117 N -0.84 7.46 0.00 5.45 0.01 -1.26 -5.07 113.70 119.45 2daf s SER 117 Ca 0.31 1.85 0.06 0.00 1.31 0.00 0.00 55.95 59.48 2daf s SER 117 Cb -0.20 -2.59 0.38 0.00 0.21 0.00 0.00 66.02 63.82 2daf s SER 117 CO 0.20 -0.09 0.84 0.61 0.41 0.00 0.00 173.24 175.21