#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 1.55 -0.06 1.61 0.01 -1.26 -5.09 113.70 110.45 2daf s SER 2 Ca 0.00 0.58 -0.31 0.00 1.31 0.00 0.00 55.95 57.53 2daf s SER 2 Cb 0.00 -0.80 0.11 0.00 0.21 0.00 0.00 66.02 65.54 2daf s SER 2 CO 0.00 -3.73 1.00 -0.94 0.41 0.00 0.00 173.24 169.97 2daf s SER 3 N -4.11 -0.29 0.07 2.44 1.04 -1.26 -5.19 113.70 106.41 2daf s SER 3 Ca 0.71 -0.01 -0.03 0.00 0.48 0.00 0.00 55.95 57.11 2daf s SER 3 Cb -0.09 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 2daf s SER 3 CO 0.55 -0.50 0.03 -0.83 0.98 0.00 0.00 173.24 173.47 2daf s GLY 4 N -2.40 0.44 -0.14 7.32 0.00 -1.26 -5.15 107.32 106.13 2daf s GLY 4 Ca 0.07 -1.10 0.02 0.00 0.00 0.00 0.00 44.72 43.70 2daf s GLY 4 CO -0.07 -1.21 -0.19 -0.56 0.00 0.00 0.00 173.10 171.07 2daf s SER 5 N -2.92 2.87 -0.34 1.64 0.01 -1.26 -5.09 113.70 108.61 2daf s SER 5 Ca 0.08 -0.55 0.04 0.00 1.31 0.00 0.00 55.95 56.83 2daf s SER 5 Cb 0.07 -1.32 0.10 0.00 0.21 0.00 0.00 66.02 65.08 2daf s SER 5 CO -0.09 0.03 0.06 -0.94 0.41 0.00 0.00 173.24 172.71 2daf s SER 6 N 1.01 4.79 0.00 2.44 1.04 -1.26 -4.73 113.70 116.99 2daf s SER 6 Ca -0.04 -2.15 0.00 0.00 0.48 0.00 0.00 55.95 54.24 2daf s SER 6 Cb -0.15 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 64.33 2daf s SER 6 CO -0.04 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.40 2daf n GLY 7 N 4.27 2.60 2.62 7.32 0.00 -1.26 -4.93 105.19 115.82 2daf n GLY 7 Ca 0.04 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 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 5.02 0.02 1.61 10.64 -1.26 -4.72 117.38 128.69 2daf n GLN 8 Ca 0.00 -4.21 -0.02 0.00 -1.83 0.00 0.00 57.00 50.94 2daf n GLN 8 Cb 0.00 -2.55 -0.01 0.00 -0.86 0.00 0.00 30.24 26.82 2daf n GLN 8 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 2daf h GLU 9 N 4.50 -0.13 -3.43 2.61 5.08 -1.91 -3.38 114.58 117.91 2daf h GLU 9 Ca 0.56 0.01 -0.77 0.00 -1.00 0.00 0.00 59.36 58.16 2daf h GLU 9 Cb 0.35 0.03 -0.20 0.00 0.50 0.00 0.00 28.75 29.43 2daf h GLU 9 CO 1.31 -0.09 1.49 -1.13 -1.00 0.00 0.00 179.01 179.59 2daf n SER 10 N -4.44 5.56 -4.16 1.42 3.41 -1.26 -4.95 113.62 109.19 2daf n SER 10 Ca -0.02 -3.19 -0.30 0.00 -0.26 0.00 0.00 58.87 55.10 2daf n SER 10 Cb 0.05 -1.41 -0.17 0.00 -0.26 0.00 0.00 64.21 62.42 2daf n SER 10 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2daf s VAL 11 N -0.63 1.81 -0.25 -3.33 -7.23 -1.26 -5.01 120.40 104.50 2daf s VAL 11 Ca 0.37 -0.87 0.09 0.00 -1.81 0.00 0.00 61.98 59.76 2daf s VAL 11 Cb 0.06 -1.59 0.45 0.00 0.56 0.00 0.00 36.38 35.85 2daf s VAL 11 CO 0.03 0.50 1.20 -1.84 -0.31 0.00 0.00 175.10 174.69 2daf n GLU 12 N 3.72 2.77 -0.02 4.82 0.28 -1.26 -4.77 120.64 126.18 2daf n GLU 12 Ca -0.20 -3.80 -0.15 0.00 -0.16 0.00 0.00 57.16 52.85 2daf n GLU 12 Cb 0.52 -1.98 -0.11 0.00 1.43 0.00 0.00 31.44 31.30 2daf n GLU 12 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2daf h ASP 13 N 1.75 0.28 -1.50 -1.84 3.58 -2.01 -3.33 116.42 113.35 2daf h ASP 13 Ca 0.21 -0.74 -0.68 0.00 0.42 0.00 0.00 57.03 56.24 2daf h ASP 13 Cb 1.35 -0.08 -0.33 0.00 1.72 0.00 0.00 39.33 41.99 2daf h ASP 13 CO 0.46 0.98 0.42 -1.20 -2.88 0.00 0.00 179.24 177.02 2daf n SER 14 N -4.48 6.69 -4.18 2.28 7.64 -1.26 -4.56 113.62 115.76 2daf n SER 14 Ca -0.09 -3.79 -0.32 0.00 1.01 0.00 0.00 58.87 55.68 2daf n SER 14 Cb 0.51 -0.83 -0.17 0.00 -1.01 0.00 0.00 64.21 62.71 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 -3.85 2.05 -0.11 -3.43 1.43 -1.25 -3.66 118.68 109.87 2daf s LEU 15 Ca 0.54 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 2daf s LEU 15 Cb 0.45 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 45.27 2daf s LEU 15 CO -0.21 0.11 -0.14 0.00 0.23 0.00 0.00 176.35 176.33 2daf s ALA 16 N 0.62 2.58 -0.53 4.21 0.00 -0.14 0.14 121.76 128.64 2daf s ALA 16 Ca -0.12 -0.92 -0.27 0.00 0.00 0.00 0.00 51.96 50.65 2daf s ALA 16 Cb -0.17 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.82 2daf s ALA 16 CO 0.03 0.33 1.82 0.99 0.00 0.00 0.00 175.76 178.93 2daf s THR 17 N 0.09 3.41 -0.39 0.00 2.01 0.15 -2.66 115.64 118.26 2daf s THR 17 Ca -0.06 0.31 -0.12 0.00 0.31 0.00 0.00 61.69 62.13 2daf s THR 17 Cb -0.15 -3.87 0.02 0.00 0.01 0.00 0.00 72.50 68.51 2daf s THR 17 CO 0.05 -0.77 0.24 -0.69 -0.69 0.00 0.00 174.62 172.76 2daf s VAL 18 N 8.37 4.83 -0.22 3.82 1.01 -1.22 -2.58 120.40 134.40 2daf s VAL 18 Ca 0.70 -0.77 -0.25 0.00 0.00 0.00 0.00 61.98 61.67 2daf s VAL 18 Cb -0.15 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 2daf s VAL 18 CO 0.25 -0.25 0.83 -0.54 0.00 0.00 0.00 175.10 175.38 2daf s LYS 19 N 1.60 4.21 -0.09 2.72 1.02 -1.20 -3.38 119.74 124.64 2daf s LYS 19 Ca 0.03 0.97 -0.05 0.00 0.02 0.00 0.00 55.97 56.94 2daf s LYS 19 Cb -0.19 -3.63 -0.04 0.00 -0.52 0.00 0.00 37.83 33.46 2daf s LYS 19 CO 0.08 -0.47 0.12 0.08 -0.92 0.00 0.00 175.35 174.24 2daf s VAL 20 N 2.66 5.20 -0.05 3.17 1.01 0.50 -1.83 120.40 131.05 2daf s VAL 20 Ca 0.36 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.37 2daf s VAL 20 Cb -0.16 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.95 2daf s VAL 20 CO 0.09 0.54 -0.09 -0.69 0.00 0.00 0.00 175.10 174.95 2daf s VAL 21 N -1.07 0.87 -0.15 2.92 1.01 -1.15 0.03 120.40 122.86 2daf s VAL 21 Ca 0.17 -0.34 -0.27 0.00 0.00 0.00 0.00 61.98 61.54 2daf s VAL 21 Cb -0.12 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 2daf s VAL 21 CO 0.07 0.29 0.91 -0.76 0.00 0.00 0.00 175.10 175.61 2daf s LEU 22 N 0.62 4.20 -0.03 3.92 1.43 -0.20 -1.56 118.68 127.06 2daf s LEU 22 Ca -0.11 1.33 -0.18 0.00 -1.03 0.00 0.00 54.13 54.14 2daf s LEU 22 Cb -0.14 -3.38 -0.11 0.00 0.03 0.00 0.00 46.19 42.59 2daf s LEU 22 CO 0.02 -0.43 0.78 0.40 0.23 0.00 0.00 176.35 177.35 2daf h ILE 23 N 5.17 0.25 0.00 -0.59 1.08 -1.67 1.01 117.51 122.75 2daf h ILE 23 Ca -0.29 -0.69 -0.09 0.00 -0.39 0.00 0.00 64.86 63.40 2daf h ILE 23 Cb 1.13 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 2daf h ILE 23 CO 0.85 0.06 -0.42 1.55 -0.69 0.00 0.00 178.15 179.50 2daf h PRO 24 N -1.06 0.00 0.00 2.37 0.13 -1.91 -3.34 132.00 128.19 2daf h PRO 24 Ca -0.05 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.96 2daf h PRO 24 Cb 0.48 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.59 2daf h PRO 24 CO 0.08 0.42 -1.11 0.28 -0.23 0.00 0.00 178.00 177.45 2daf n VAL 25 N -3.84 1.48 0.00 1.56 0.31 -1.25 -5.02 118.33 111.58 2daf n VAL 25 Ca -0.01 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2daf n VAL 25 Cb 0.48 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 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 1.48 0.32 3.75 2.92 0.00 0.35 -5.00 105.19 109.01 2daf n GLY 26 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.83 4.77 0.14 1.61 0.74 -1.26 -4.58 119.66 120.26 2daf s GLN 27 Ca 0.00 1.57 0.02 0.00 0.05 0.00 0.00 55.36 57.00 2daf s GLN 27 Cb 0.00 -3.27 -0.04 0.00 1.10 0.00 0.00 33.01 30.80 2daf s GLN 27 CO 0.00 0.38 0.28 -2.00 -0.55 0.00 0.00 175.29 173.40 2daf s GLU 28 N -1.01 3.44 -0.11 1.67 2.12 -1.26 -1.04 118.70 122.51 2daf s GLU 28 Ca 0.43 -0.57 -0.06 0.00 0.36 0.00 0.00 54.97 55.13 2daf s GLU 28 Cb -0.27 -2.97 0.05 0.00 0.26 0.00 0.00 34.13 31.19 2daf s GLU 28 CO 0.34 0.53 0.27 0.42 -0.54 0.00 0.00 175.26 176.28 2daf s ILE 29 N -1.71 -0.04 -0.23 -3.70 1.01 0.10 -4.91 121.20 111.72 2daf s ILE 29 Ca 0.35 0.14 -0.07 0.00 0.00 0.00 0.00 60.65 61.06 2daf s ILE 29 Cb -0.11 -0.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 2daf s ILE 29 CO 0.28 0.06 0.07 -0.69 0.00 0.00 0.00 174.94 174.66 2daf s VAL 30 N 1.26 4.44 -0.06 2.92 1.01 -1.26 -0.37 120.40 128.34 2daf s VAL 30 Ca -0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 2daf s VAL 30 Cb -0.10 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.25 2daf s VAL 30 CO -0.09 0.37 0.14 -0.51 0.00 0.00 0.00 175.10 175.01 2daf s ILE 31 N 1.29 -0.02 -0.12 2.22 2.07 -1.22 -5.04 121.20 120.38 2daf s ILE 31 Ca 0.05 0.07 -0.29 0.00 -1.41 0.00 0.00 60.65 59.06 2daf s ILE 31 Cb -0.15 -0.21 -0.04 0.00 0.13 0.00 0.00 42.46 42.19 2daf s ILE 31 CO 0.03 0.03 1.55 -2.16 -1.91 0.00 0.00 174.94 172.48 2daf s PRO 32 N 0.50 4.10 0.18 3.50 0.04 -1.26 -3.41 135.00 138.65 2daf s PRO 32 Ca -0.04 1.92 0.11 0.00 0.04 0.00 0.00 61.00 63.04 2daf s PRO 32 Cb -0.05 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.50 2daf s PRO 32 CO -0.02 -0.92 -0.24 0.12 0.04 0.00 0.00 177.00 175.98 2daf s PHE 33 N 4.19 2.32 0.02 0.56 5.36 -1.09 -4.96 117.98 124.38 2daf s PHE 33 Ca 0.68 -0.36 -0.20 0.00 -0.96 0.00 0.00 56.93 56.09 2daf s PHE 33 Cb -0.28 -1.16 -0.06 0.00 -0.34 0.00 0.00 43.02 41.18 2daf s PHE 33 CO 0.26 0.48 0.60 0.15 -1.46 0.00 0.00 175.22 175.24 2daf s LYS 34 N -2.60 4.29 0.40 10.12 1.02 -1.26 -0.97 119.74 130.73 2daf s LYS 34 Ca 0.20 0.75 0.23 0.00 0.02 0.00 0.00 55.97 57.17 2daf s LYS 34 Cb -0.08 -3.31 0.32 0.00 -0.52 0.00 0.00 37.83 34.23 2daf s LYS 34 CO 0.10 0.45 1.54 -0.39 -0.92 0.00 0.00 175.35 176.12 2daf h VAL 35 N 3.94 0.00 -0.77 3.17 -1.51 -1.92 -3.21 116.25 115.95 2daf h VAL 35 Ca -0.46 -0.97 -0.24 0.00 -1.23 0.00 0.00 66.70 63.80 2daf h VAL 35 Cb 1.20 1.90 -0.14 0.00 -2.13 0.00 0.00 31.29 32.12 2daf h VAL 35 CO 0.68 0.00 0.30 -0.90 -1.23 0.00 0.00 177.57 176.42 2daf n ASP 36 N -3.00 4.85 -4.00 4.19 5.75 -1.26 -2.40 116.55 120.68 2daf n ASP 36 Ca 0.04 -3.25 -0.18 0.00 -0.01 0.00 0.00 54.79 51.38 2daf n ASP 36 Cb 0.53 -0.76 -0.15 0.00 -1.03 0.00 0.00 41.12 39.71 2daf n ASP 36 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2daf s THR 37 N -3.02 0.66 0.84 2.12 2.01 -1.21 -5.05 115.64 111.98 2daf s THR 37 Ca 0.56 -0.33 -0.14 0.00 0.31 0.00 0.00 61.69 62.08 2daf s THR 37 Cb 0.45 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 72.39 2daf s THR 37 CO 0.14 0.19 0.50 2.30 -0.69 0.00 0.00 174.62 177.06 2daf n ILE 38 N 3.02 0.97 0.03 1.82 -5.35 -1.26 -4.26 119.36 114.33 2daf n ILE 38 Ca -0.15 -0.29 -0.06 0.00 -0.27 0.00 0.00 62.75 61.98 2daf n ILE 38 Cb 0.56 -0.70 0.13 0.00 -1.74 0.00 0.00 39.64 37.89 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 -0.95 0.46 -0.82 7.28 3.38 -1.38 -3.27 115.31 120.00 2daf h LEU 39 Ca -0.45 -0.21 0.11 0.00 0.09 0.00 0.00 57.88 57.42 2daf h LEU 39 Cb 1.31 -0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.82 2daf h LEU 39 CO 0.39 0.85 -0.39 1.17 0.09 0.00 0.00 178.44 180.55 2daf n LYS 40 N -4.00 -0.26 -0.31 1.13 0.00 -1.24 -0.38 118.16 113.11 2daf n LYS 40 Ca -0.02 1.26 -0.07 0.00 0.00 0.00 0.00 58.31 59.48 2daf n LYS 40 Cb 0.53 -1.86 -0.06 0.00 0.00 0.00 0.00 35.03 33.64 2daf n LYS 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2daf n TYR 41 N -5.14 -0.28 -0.17 5.64 4.02 -1.23 0.11 117.16 120.11 2daf n TYR 41 Ca 0.06 0.93 -0.09 0.00 -0.01 0.00 0.00 57.90 58.79 2daf n TYR 41 Cb 0.28 -0.59 0.05 0.00 -0.02 0.00 0.00 39.34 39.06 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 0.98 0.11 7.72 5.85 -0.94 -2.63 115.31 126.40 2daf h LEU 42 Ca 0.14 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.57 2daf h LEU 42 Cb 0.33 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 2daf h LEU 42 CO -0.71 1.08 -0.52 0.50 -0.34 0.00 0.00 178.44 178.45 2daf h LYS 43 N 0.89 -0.71 -0.03 1.25 3.64 0.23 -2.65 116.57 119.19 2daf h LYS 43 Ca 0.15 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2daf h LYS 43 Cb 0.62 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 2daf h LYS 43 CO 0.04 -0.48 -0.13 0.38 -2.27 0.00 0.00 179.45 176.99 2daf h ASP 44 N -0.74 -0.39 -0.94 4.20 3.04 -0.81 -0.68 116.42 120.10 2daf h ASP 44 Ca -0.00 0.06 0.36 0.00 -3.24 0.00 0.00 57.03 54.22 2daf h ASP 44 Cb 0.75 0.17 -0.14 0.00 -1.04 0.00 0.00 39.33 39.08 2daf h ASP 44 CO -0.29 -0.19 0.55 1.57 -2.04 0.00 0.00 179.24 178.85 2daf n HIS 45 N -5.27 0.82 -0.08 4.15 -0.00 -1.00 -0.71 115.22 113.14 2daf n HIS 45 Ca -0.05 0.83 -0.11 0.00 0.46 0.00 0.00 57.72 58.85 2daf n HIS 45 Cb 0.19 -1.25 -0.06 0.00 -0.12 0.00 0.00 29.99 28.75 2daf n HIS 45 CO 0.00 0.00 0.00 0.74 0.46 0.00 0.00 176.34 177.54 2daf h PHE 46 N 0.00 0.00 -0.98 1.57 -1.00 -1.13 -3.26 116.94 112.14 2daf h PHE 46 Ca 0.71 0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.58 2daf h PHE 46 Cb 2.03 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 41.47 2daf h PHE 46 CO -0.01 0.65 -0.57 0.45 -1.61 0.00 0.00 178.31 177.23 2daf n SER 47 N -4.57 -1.02 0.13 2.17 2.88 0.11 0.08 113.62 113.40 2daf n SER 47 Ca -0.16 1.74 -0.13 0.00 -1.33 0.00 0.00 58.87 58.99 2daf n SER 47 Cb 0.41 -0.23 -0.06 0.00 -0.75 0.00 0.00 64.21 63.58 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 -0.79 -0.02 0.66 2.07 -1.22 -0.60 115.15 115.25 2daf h HIS 48 Ca 0.17 0.02 0.02 0.00 -2.85 0.00 0.00 60.37 57.72 2daf h HIS 48 Cb 0.41 0.33 -0.04 0.00 2.57 0.00 0.00 27.41 30.68 2daf h HIS 48 CO -1.00 -0.40 -0.38 1.25 -3.07 0.00 0.00 177.93 174.32 2daf h LEU 49 N -0.53 -1.19 -1.91 6.12 7.12 -1.05 0.13 115.31 124.00 2daf h LEU 49 Ca 0.02 0.13 0.11 0.00 0.13 0.00 0.00 57.88 58.28 2daf h LEU 49 Cb 0.54 0.45 -0.02 0.00 -0.53 0.00 0.00 40.66 41.11 2daf h LEU 49 CO -0.15 -0.37 0.48 -0.07 -0.13 0.00 0.00 178.44 178.20 2daf h LEU 50 N -0.47 0.00 0.00 2.25 3.38 -0.26 -3.44 115.31 116.76 2daf h LEU 50 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2daf h LEU 50 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2daf h LEU 50 CO -0.26 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.88 2daf n GLY 51 N -1.47 0.75 3.59 0.83 0.00 0.45 -4.91 105.19 104.43 2daf n GLY 51 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.51 3.38 0.60 -0.61 -4.36 -0.72 -4.98 121.20 112.00 2daf s ILE 52 Ca 0.00 -1.36 -0.17 0.00 -0.26 0.00 0.00 60.65 58.85 2daf s ILE 52 Cb 0.00 -2.61 -0.03 0.00 1.25 0.00 0.00 42.46 41.07 2daf s ILE 52 CO 0.00 0.04 1.12 -2.16 0.24 0.00 0.00 174.94 174.18 2daf s PRO 53 N -2.42 3.08 0.23 0.37 0.04 -1.26 -4.09 135.00 130.94 2daf s PRO 53 Ca 0.23 1.50 0.26 0.00 0.04 0.00 0.00 61.00 63.03 2daf s PRO 53 Cb -0.10 -1.98 0.85 0.00 0.04 0.00 0.00 34.50 33.31 2daf s PRO 53 CO 0.15 -1.05 1.76 -2.39 0.04 0.00 0.00 177.00 175.51 2daf n HIS 54 N -1.85 0.92 0.20 0.56 1.44 -1.26 -3.31 115.22 111.91 2daf n HIS 54 Ca 0.11 0.29 0.17 0.00 -2.01 0.00 0.00 57.72 56.28 2daf n HIS 54 Cb 0.51 -0.97 0.82 0.00 0.12 0.00 0.00 29.99 30.48 2daf n HIS 54 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2daf h SER 55 N 0.00 0.00 0.00 4.39 0.87 -2.03 -2.37 113.55 114.42 2daf h SER 55 Ca 0.00 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.28 2daf h SER 55 Cb 0.65 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.55 2daf h SER 55 CO 0.00 0.00 -2.05 1.33 -0.53 0.00 0.00 176.83 175.58 2daf n VAL 56 N -3.80 1.06 -2.53 2.23 0.24 -1.21 -4.97 118.33 109.35 2daf n VAL 56 Ca 0.02 -0.59 -0.41 0.00 -2.04 0.00 0.00 64.34 61.33 2daf n VAL 56 Cb 0.34 -0.75 -0.04 0.00 -1.47 0.00 0.00 33.84 31.92 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 -5.38 4.52 0.13 1.34 2.96 -0.89 -0.51 118.68 120.85 2daf s LEU 57 Ca -0.12 2.12 0.00 0.00 -0.22 0.00 0.00 54.13 55.91 2daf s LEU 57 Cb 0.05 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 2daf s LEU 57 CO 0.57 -0.17 0.01 -1.10 -1.32 0.00 0.00 176.35 174.35 2daf s GLN 58 N -0.67 0.93 -0.09 1.98 -0.21 0.52 -4.82 119.66 117.29 2daf s GLN 58 Ca 0.48 -1.43 0.02 0.00 0.02 0.00 0.00 55.36 54.45 2daf s GLN 58 Cb -0.30 0.03 0.01 0.00 1.00 0.00 0.00 33.01 33.75 2daf s GLN 58 CO 0.36 -0.17 -0.16 0.42 -2.12 0.00 0.00 175.29 173.62 2daf s ILE 59 N -3.86 1.49 -0.15 1.08 1.01 -1.26 -2.36 121.20 117.15 2daf s ILE 59 Ca 0.20 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 2daf s ILE 59 Cb 0.07 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 2daf s ILE 59 CO -0.00 0.43 -0.05 -0.60 0.00 0.00 0.00 174.94 174.72 2daf s ARG 60 N 0.70 3.57 -0.04 2.79 3.52 0.54 -1.95 118.95 128.08 2daf s ARG 60 Ca -0.13 -0.55 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 2daf s ARG 60 Cb -0.16 -2.85 0.02 0.00 -1.56 0.00 0.00 34.95 30.41 2daf s ARG 60 CO 0.03 0.26 -0.02 -0.47 -0.81 0.00 0.00 175.30 174.30 2daf s TYR 61 N 0.28 0.55 -1.47 5.12 5.04 0.13 -0.81 117.35 126.18 2daf s TYR 61 Ca -0.04 -0.11 -0.11 0.00 -2.44 0.00 0.00 57.07 54.37 2daf s TYR 61 Cb -0.14 -0.59 0.07 0.00 0.35 0.00 0.00 41.96 41.65 2daf s TYR 61 CO 0.03 -0.19 0.82 0.45 -1.34 0.00 0.00 175.55 175.32 2daf n SER 62 N 4.31 -4.86 -1.17 4.32 2.88 -1.26 -0.43 113.62 117.41 2daf n SER 62 Ca -0.22 -0.60 -0.12 0.00 -1.33 0.00 0.00 58.87 56.61 2daf n SER 62 Cb 0.50 -3.91 -0.02 0.00 -0.75 0.00 0.00 64.21 60.03 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 -1.56 0.44 3.31 0.46 0.00 -1.26 -5.01 105.19 101.57 2daf n GLY 63 Ca 0.00 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.41 2daf n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2daf s LYS 64 N -3.96 1.23 -0.79 1.61 1.02 0.43 -5.10 119.74 114.17 2daf s LYS 64 Ca 0.00 -1.45 -0.15 0.00 0.02 0.00 0.00 55.97 54.39 2daf s LYS 64 Cb 0.00 -1.09 0.19 0.00 -0.52 0.00 0.00 37.83 36.41 2daf s LYS 64 CO 0.00 0.20 0.78 0.42 -0.92 0.00 0.00 175.35 175.83 2daf s ILE 65 N -2.56 5.40 0.94 2.17 -1.09 -1.26 -0.70 121.20 124.11 2daf s ILE 65 Ca 0.17 -2.15 -0.10 0.00 -2.23 0.00 0.00 60.65 56.34 2daf s ILE 65 Cb -0.03 -4.50 0.16 0.00 -1.58 0.00 0.00 42.46 36.52 2daf s ILE 65 CO 0.05 -1.08 1.13 -0.76 -1.23 0.00 0.00 174.94 173.05 2daf s LEU 66 N 0.82 2.60 0.00 2.97 1.43 -0.82 -5.02 118.68 120.65 2daf s LEU 66 Ca 0.18 2.09 0.01 0.00 -1.03 0.00 0.00 54.13 55.38 2daf s LEU 66 Cb -0.13 -4.42 -0.01 0.00 0.03 0.00 0.00 46.19 41.67 2daf s LEU 66 CO -0.07 -3.21 0.05 0.29 0.23 0.00 0.00 176.35 173.65 2daf n LYS 67 N -4.29 0.94 -0.02 1.70 5.02 -1.26 -4.62 118.16 115.63 2daf n LYS 67 Ca 0.11 -2.35 -0.01 0.00 -2.02 0.00 0.00 58.31 54.03 2daf n LYS 67 Cb 0.52 0.96 -0.00 0.00 -0.02 0.00 0.00 35.03 36.49 2daf n LYS 67 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2daf h ASN 68 N 0.94 -0.05 -0.04 4.39 2.35 -1.96 -3.31 115.58 117.89 2daf h ASN 68 Ca -0.24 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.52 2daf h ASN 68 Cb 0.82 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 2daf h ASN 68 CO 0.39 0.38 0.12 0.78 -1.65 0.00 0.00 177.43 177.45 2daf h ASN 69 N -0.90 0.00 -3.16 5.81 4.21 -1.98 -3.03 115.58 116.52 2daf h ASN 69 Ca -0.01 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 56.98 2daf h ASN 69 Cb 0.05 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 37.29 2daf h ASN 69 CO 0.01 0.00 0.74 -1.61 -1.29 0.00 0.00 177.43 175.28 2daf s GLU 70 N -4.30 4.31 0.24 0.81 0.41 -1.25 -4.87 118.70 114.05 2daf s GLU 70 Ca -0.05 2.17 0.05 0.00 -0.41 0.00 0.00 54.97 56.74 2daf s GLU 70 Cb 0.13 -3.18 -0.03 0.00 -1.78 0.00 0.00 34.13 29.26 2daf s GLU 70 CO 0.42 -0.41 0.34 0.99 -0.49 0.00 0.00 175.26 176.11 2daf s THR 71 N 0.58 5.20 0.03 3.63 2.01 -1.26 -2.71 115.64 123.11 2daf s THR 71 Ca 0.62 -1.01 -0.25 0.00 0.31 0.00 0.00 61.69 61.36 2daf s THR 71 Cb -0.39 -3.82 -0.18 0.00 0.01 0.00 0.00 72.50 68.12 2daf s THR 71 CO 0.36 -0.32 1.43 -0.07 -0.69 0.00 0.00 174.62 175.32 2daf h LEU 72 N 1.24 -0.12 -2.17 4.42 -0.00 -1.74 -2.78 115.31 114.16 2daf h LEU 72 Ca -0.52 -0.23 0.05 0.00 -0.00 0.00 0.00 57.88 57.19 2daf h LEU 72 Cb 1.23 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.91 2daf h LEU 72 CO 0.61 0.17 0.17 -0.37 -0.00 0.00 0.00 178.44 179.02 2daf h VAL 73 N -0.41 0.64 -0.34 1.22 -1.51 -1.66 -0.32 116.25 113.86 2daf h VAL 73 Ca -0.01 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.36 2daf h VAL 73 Cb 0.34 0.87 -0.02 0.00 -2.13 0.00 0.00 31.29 30.36 2daf h VAL 73 CO 0.02 0.00 -0.18 1.56 -1.23 0.00 0.00 177.57 177.74 2daf h GLN 74 N 0.00 0.63 0.00 5.19 1.08 -1.80 -2.82 115.11 117.40 2daf h GLN 74 Ca 0.09 -0.22 -0.09 0.00 -1.45 0.00 0.00 58.65 56.98 2daf h GLN 74 Cb 0.42 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 2daf h GLN 74 CO -0.00 0.78 -0.70 0.45 -0.95 0.00 0.00 178.83 178.41 2daf h HIS 75 N 0.57 0.00 0.00 2.96 3.86 -1.00 -3.48 115.15 118.05 2daf h HIS 75 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2daf h HIS 75 Cb 0.63 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 2daf h HIS 75 CO 0.03 0.37 0.00 0.41 0.86 0.00 0.00 177.93 179.60 2daf n GLY 76 N 1.24 0.65 2.85 2.45 0.00 -0.62 -5.13 105.19 106.62 2daf n GLY 76 Ca -0.01 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.69 0.76 0.35 1.61 1.01 -1.15 -4.97 120.40 117.32 2daf s VAL 77 Ca 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 2daf s VAL 77 Cb 0.00 -0.83 -0.06 0.00 0.00 0.00 0.00 36.38 35.49 2daf s VAL 77 CO 0.00 0.32 0.69 -0.54 0.00 0.00 0.00 175.10 175.57 2daf s LYS 78 N 1.79 3.76 0.44 2.72 1.02 -1.26 -4.31 119.74 123.90 2daf s LYS 78 Ca 0.04 0.34 -0.24 0.00 0.02 0.00 0.00 55.97 56.14 2daf s LYS 78 Cb -0.12 -2.49 -0.08 0.00 -0.52 0.00 0.00 37.83 34.62 2daf s LYS 78 CO -0.07 0.08 1.17 -1.25 -0.92 0.00 0.00 175.35 174.37 2daf s PRO 79 N -3.60 3.86 -1.24 -1.68 0.04 -1.26 -3.40 135.00 127.72 2daf s PRO 79 Ca 0.49 1.82 -0.07 0.00 0.04 0.00 0.00 61.00 63.28 2daf s PRO 79 Cb -0.10 -2.51 0.01 0.00 0.04 0.00 0.00 34.50 31.93 2daf s PRO 79 CO 0.29 -0.47 0.95 1.04 0.04 0.00 0.00 177.00 178.84 2daf n GLN 80 N -0.27 -6.53 -4.60 4.56 6.02 0.38 -4.87 117.38 112.06 2daf n GLN 80 Ca 0.06 0.75 -0.31 0.00 -0.01 0.00 0.00 57.00 57.49 2daf n GLN 80 Cb 0.47 -5.50 -0.07 0.00 1.02 0.00 0.00 30.24 26.16 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 -6.04 2.18 -0.06 -1.09 -1.05 -1.22 -4.83 118.70 106.58 2daf s GLU 81 Ca 0.47 -2.29 0.05 0.00 -0.15 0.00 0.00 54.97 53.05 2daf s GLU 81 Cb -0.21 -1.64 -0.00 0.00 -0.44 0.00 0.00 34.13 31.84 2daf s GLU 81 CO 0.58 -0.35 -0.21 0.42 0.95 0.00 0.00 175.26 176.65 2daf s ILE 82 N -2.83 1.77 0.26 1.83 1.01 -1.26 0.31 121.20 122.28 2daf s ILE 82 Ca 0.15 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.96 2daf s ILE 82 Cb 0.02 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 2daf s ILE 82 CO 0.08 0.50 0.18 1.33 0.00 0.00 0.00 174.94 177.03 2daf n VAL 83 N 3.25 0.00 -3.62 2.92 0.24 -1.07 -5.03 118.33 115.01 2daf n VAL 83 Ca -0.19 -1.78 -0.19 0.00 -2.04 0.00 0.00 64.34 60.15 2daf n VAL 83 Cb 0.52 0.83 -0.16 0.00 -1.47 0.00 0.00 33.84 33.57 2daf n VAL 83 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2daf s GLN 84 N -3.03 0.06 0.42 7.34 0.74 -1.26 -3.21 119.66 120.72 2daf s GLN 84 Ca 0.26 0.36 0.07 0.00 0.05 0.00 0.00 55.36 56.10 2daf s GLN 84 Cb 0.01 -0.75 -0.07 0.00 1.10 0.00 0.00 33.01 33.30 2daf s GLN 84 CO 0.18 -0.44 0.06 0.14 -0.55 0.00 0.00 175.29 174.68 2daf s VAL 85 N 2.26 2.06 -0.01 1.34 -7.23 -0.76 -4.53 120.40 113.52 2daf s VAL 85 Ca 0.04 -1.91 0.03 0.00 -1.81 0.00 0.00 61.98 58.33 2daf s VAL 85 Cb -0.13 -2.97 -0.00 0.00 0.56 0.00 0.00 36.38 33.83 2daf s VAL 85 CO -0.07 0.00 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.01 2daf s GLU 86 N -3.77 0.87 -0.03 4.82 2.02 0.01 -2.93 118.70 119.69 2daf s GLU 86 Ca 0.36 -0.35 0.07 0.00 0.02 0.00 0.00 54.97 55.07 2daf s GLU 86 Cb 0.08 -0.83 -0.02 0.00 0.10 0.00 0.00 34.13 33.46 2daf s GLU 86 CO 0.19 0.19 -0.25 0.42 0.02 0.00 0.00 175.26 175.83 2daf s ILE 87 N -0.12 2.16 0.16 -1.63 1.01 -0.60 -0.34 121.20 121.84 2daf s ILE 87 Ca 0.02 -1.07 -0.25 0.00 0.00 0.00 0.00 60.65 59.36 2daf s ILE 87 Cb -0.05 -1.75 0.06 0.00 0.01 0.00 0.00 42.46 40.72 2daf s ILE 87 CO -0.00 0.58 0.88 0.72 0.00 0.00 0.00 174.94 177.12 2daf s PHE 88 N -0.60 -0.20 -0.09 3.97 -0.12 -1.00 -1.71 117.98 118.24 2daf s PHE 88 Ca 0.09 -0.11 0.02 0.00 -0.05 0.00 0.00 56.93 56.88 2daf s PHE 88 Cb -0.10 0.63 -0.02 0.00 -0.63 0.00 0.00 43.02 42.90 2daf s PHE 88 CO -0.01 -0.87 -0.15 0.45 -0.05 0.00 0.00 175.22 174.59 2daf s SER 89 N -2.86 3.90 0.28 1.98 0.15 -1.26 -0.35 113.70 115.53 2daf s SER 89 Ca 0.10 -0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.43 2daf s SER 89 Cb -0.02 -1.25 0.40 0.00 -1.71 0.00 0.00 66.02 63.43 2daf s SER 89 CO 0.01 0.24 1.86 0.71 1.20 0.00 0.00 173.24 177.25 2daf h THR 90 N 4.99 1.22 -3.12 6.45 1.35 -1.16 -3.32 112.91 119.32 2daf h THR 90 Ca -0.34 -0.71 -0.63 0.00 -0.55 0.00 0.00 66.41 64.19 2daf h THR 90 Cb 1.19 0.49 -0.41 0.00 -1.73 0.00 0.00 68.15 67.68 2daf h THR 90 CO 0.53 0.28 -0.54 0.21 -0.25 0.00 0.00 175.52 175.74 2daf s ASN 91 N -6.50 4.88 0.30 5.36 3.84 -1.26 -4.90 114.94 116.65 2daf s ASN 91 Ca -0.10 -3.79 0.25 0.00 0.21 0.00 0.00 52.86 49.42 2daf s ASN 91 Cb 0.16 -1.66 1.04 0.00 -0.55 0.00 0.00 41.25 40.24 2daf s ASN 91 CO 0.80 -0.10 1.75 1.55 -2.79 0.00 0.00 177.10 178.31 2daf h PRO 92 N 5.52 0.00 -0.05 0.43 0.13 -1.76 -0.90 132.00 135.37 2daf h PRO 92 Ca 0.13 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.04 2daf h PRO 92 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2daf h PRO 92 CO 0.73 0.00 -0.87 -0.44 -0.23 0.00 0.00 178.00 177.18 2daf h ASP 93 N 0.00 0.64 0.03 1.44 3.32 -1.94 -2.88 116.42 117.03 2daf h ASP 93 Ca 0.00 -0.47 -0.31 0.00 0.02 0.00 0.00 57.03 56.26 2daf h ASP 93 Cb 0.37 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 2daf h ASP 93 CO 0.00 1.26 -1.73 0.18 -1.72 0.00 0.00 179.24 177.23 2daf n LEU 94 N -3.82 2.14 -3.69 1.55 4.77 -1.10 -4.74 117.00 112.12 2daf n LEU 94 Ca -0.07 0.32 -0.28 0.00 -0.03 0.00 0.00 56.01 55.96 2daf n LEU 94 Cb 0.79 -0.98 -0.11 0.00 -2.33 0.00 0.00 43.42 40.79 2daf n LEU 94 CO 0.51 0.51 -0.16 -0.31 -1.33 0.00 0.00 177.39 176.61 2daf s TYR 95 N -2.44 2.49 0.38 -1.77 1.51 -0.36 -5.11 117.35 112.05 2daf s TYR 95 Ca -0.29 -2.89 -0.26 0.00 -1.01 0.00 0.00 57.07 52.61 2daf s TYR 95 Cb 0.08 -1.95 -0.09 0.00 -0.11 0.00 0.00 41.96 39.89 2daf s TYR 95 CO 0.62 -0.67 1.20 -1.25 -1.11 0.00 0.00 175.55 174.34 2daf s PRO 96 N -0.76 4.16 -0.28 -1.71 0.04 -1.09 -4.37 135.00 130.98 2daf s PRO 96 Ca 0.28 1.94 -0.24 0.00 0.04 0.00 0.00 61.00 63.02 2daf s PRO 96 Cb -0.02 -2.81 -0.00 0.00 0.04 0.00 0.00 34.50 31.71 2daf s PRO 96 CO -0.17 -0.26 0.80 0.08 0.04 0.00 0.00 177.00 177.49 2daf s VAL 97 N -1.32 4.81 0.06 -0.36 1.01 -1.26 -4.99 120.40 118.35 2daf s VAL 97 Ca 0.54 1.32 0.04 0.00 0.00 0.00 0.00 61.98 63.88 2daf s VAL 97 Cb -0.33 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 2daf s VAL 97 CO 0.42 -0.18 -0.01 -0.13 0.00 0.00 0.00 175.10 175.20 2daf s ARG 98 N 2.92 2.57 0.46 2.72 1.81 -1.26 -4.64 118.95 123.52 2daf s ARG 98 Ca 0.33 -0.79 -0.23 0.00 -1.72 0.00 0.00 55.73 53.32 2daf s ARG 98 Cb -0.14 -2.55 -0.10 0.00 -0.45 0.00 0.00 34.95 31.71 2daf s ARG 98 CO 0.11 0.56 0.96 -2.13 -0.68 0.00 0.00 175.30 174.12 2daf n ARG 99 N 0.83 1.21 -2.29 3.54 0.63 -1.26 -4.86 116.66 114.46 2daf n ARG 99 Ca -0.12 0.44 -0.43 0.00 -0.92 0.00 0.00 57.85 56.82 2daf n ARG 99 Cb 0.52 -2.03 -0.02 0.00 0.45 0.00 0.00 32.46 31.38 2daf n ARG 99 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2daf s ILE 100 N -1.34 3.86 0.46 5.15 -1.09 -1.26 -4.98 121.20 121.99 2daf s ILE 100 Ca 0.65 0.89 -0.25 0.00 -2.23 0.00 0.00 60.65 59.72 2daf s ILE 100 Cb -0.53 -4.09 -0.08 0.00 -1.58 0.00 0.00 42.46 36.18 2daf s ILE 100 CO 0.55 -0.65 1.42 1.51 -1.23 0.00 0.00 174.94 176.54 2daf s ASP 101 N 4.11 5.85 0.00 3.58 -4.77 -1.26 -4.79 116.67 119.39 2daf s ASP 101 Ca 0.64 2.90 0.00 0.00 -3.30 0.00 0.00 52.55 52.79 2daf s ASP 101 Cb -0.16 -2.65 0.00 0.00 -1.09 0.00 0.00 42.92 39.02 2daf s ASP 101 CO 0.31 -1.19 0.00 0.61 0.70 0.00 0.00 175.17 175.60 2daf n GLY 102 N 0.59 0.52 3.47 2.12 0.00 -1.26 -5.06 105.19 105.57 2daf n GLY 102 Ca 0.05 -2.23 -0.51 0.00 0.00 0.00 0.00 46.02 43.33 2daf n GLY 102 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2daf n LEU 103 N 0.00 -0.24 -4.21 0.99 0.00 -1.26 -4.97 117.00 107.31 2daf n LEU 103 Ca 0.00 1.14 -0.12 0.00 0.00 0.00 0.00 56.01 57.03 2daf n LEU 103 Cb 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 43.42 42.32 2daf n LEU 103 CO 0.00 -2.29 -0.37 0.28 0.00 0.00 0.00 177.39 175.00 2daf s THR 104 N -0.56 0.78 -0.04 1.96 -1.32 -1.26 -5.06 115.64 110.14 2daf s THR 104 Ca 0.74 -1.97 0.06 0.00 -1.21 0.00 0.00 61.69 59.30 2daf s THR 104 Cb -1.01 -1.84 -0.01 0.00 -1.51 0.00 0.00 72.50 68.13 2daf s THR 104 CO 0.56 -0.73 -0.22 -1.81 -2.21 0.00 0.00 174.62 170.21 2daf s ASP 105 N -3.11 2.65 -0.33 8.08 1.11 -1.26 -5.08 116.67 118.74 2daf s ASP 105 Ca 0.16 -0.43 -0.41 0.00 0.18 0.00 0.00 52.55 52.05 2daf s ASP 105 Cb 0.05 -0.62 -0.16 0.00 1.07 0.00 0.00 42.92 43.26 2daf s ASP 105 CO -0.01 0.22 1.77 0.55 1.18 0.00 0.00 175.17 178.88 2daf n VAL 106 N 2.91 0.25 -3.63 -1.27 3.14 -1.26 -4.92 118.33 113.54 2daf n VAL 106 Ca -0.17 -0.06 -0.11 0.00 -2.96 0.00 0.00 64.34 61.04 2daf n VAL 106 Cb 0.52 -1.13 -0.07 0.00 -1.06 0.00 0.00 33.84 32.11 2daf n VAL 106 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2daf s SER 107 N 3.84 -0.74 -0.10 6.55 0.15 -1.26 -5.13 113.70 117.01 2daf s SER 107 Ca 1.01 1.34 -0.05 0.00 0.70 0.00 0.00 55.95 58.96 2daf s SER 107 Cb -1.13 1.35 0.05 0.00 -1.71 0.00 0.00 66.02 64.57 2daf s SER 107 CO 0.67 -0.23 0.23 0.00 1.20 0.00 0.00 173.24 175.11 2daf s GLN 108 N 0.71 0.16 0.32 5.44 -2.07 -1.26 -5.12 119.66 117.85 2daf s GLN 108 Ca -0.02 0.56 -0.12 0.00 -1.82 0.00 0.00 55.36 53.95 2daf s GLN 108 Cb -0.05 -0.12 0.02 0.00 -1.09 0.00 0.00 33.01 31.77 2daf s GLN 108 CO -0.06 -0.20 0.60 0.96 -1.32 0.00 0.00 175.29 175.27 2daf s ILE 109 N 1.59 0.00 -0.18 3.63 -4.36 -1.26 -5.18 121.20 115.43 2daf s ILE 109 Ca -0.06 -1.28 -0.28 0.00 -0.26 0.00 0.00 60.65 58.76 2daf s ILE 109 Cb -0.11 -2.49 0.10 0.00 1.25 0.00 0.00 42.46 41.22 2daf s ILE 109 CO -0.08 0.00 0.89 -0.51 0.24 0.00 0.00 174.94 175.48 2daf s ILE 110 N -3.25 0.00 0.02 8.37 2.07 -1.26 -5.17 121.20 121.98 2daf s ILE 110 Ca 0.21 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.46 2daf s ILE 110 Cb -0.03 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.55 2daf s ILE 110 CO 0.12 0.00 -0.04 0.42 -1.91 0.00 0.00 174.94 173.53 2daf s THR 111 N -0.59 0.26 -0.80 4.00 -4.23 -1.26 -5.10 115.64 107.92 2daf s THR 111 Ca -0.03 -0.60 -0.19 0.00 -1.18 0.00 0.00 61.69 59.70 2daf s THR 111 Cb -0.02 -0.31 0.13 0.00 1.34 0.00 0.00 72.50 73.63 2daf s THR 111 CO 0.02 -0.22 0.96 -0.69 -0.54 0.00 0.00 174.62 174.15 2daf s VAL 112 N -0.81 4.80 -0.10 2.29 1.01 -1.26 -4.99 120.40 121.34 2daf s VAL 112 Ca -0.07 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.54 2daf s VAL 112 Cb -0.06 -4.66 0.02 0.00 0.00 0.00 0.00 36.38 31.68 2daf s VAL 112 CO -0.00 -1.36 -0.09 -0.94 0.00 0.00 0.00 175.10 172.72 2daf s SER 113 N 3.44 2.01 -0.92 3.32 1.04 -1.26 -5.08 113.70 116.25 2daf s SER 113 Ca 0.24 -0.29 -0.05 0.00 0.48 0.00 0.00 55.95 56.33 2daf s SER 113 Cb -0.12 -0.81 0.23 0.00 0.10 0.00 0.00 66.02 65.42 2daf s SER 113 CO -0.03 -0.08 0.83 -0.83 0.98 0.00 0.00 173.24 174.12 2daf s GLY 114 N 1.40 3.02 0.93 7.32 0.00 -1.26 -5.07 107.32 113.66 2daf s GLY 114 Ca -0.01 -3.73 -0.12 0.00 0.00 0.00 0.00 44.72 40.86 2daf s GLY 114 CO -0.05 1.23 1.09 2.56 0.00 0.00 0.00 173.10 177.93 2daf s PRO 115 N -1.04 0.98 -0.15 2.90 0.04 -1.26 -5.08 135.00 131.40 2daf s PRO 115 Ca 0.26 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 2daf s PRO 115 Cb -0.10 -1.79 0.12 0.00 0.04 0.00 0.00 34.50 32.78 2daf s PRO 115 CO -0.10 -2.40 0.95 0.45 0.04 0.00 0.00 177.00 175.94 2daf s SER 116 N -3.44 -0.41 -0.30 6.66 0.15 -1.26 -5.12 113.70 109.99 2daf s SER 116 Ca 0.64 0.45 -0.36 0.00 0.70 0.00 0.00 55.95 57.38 2daf s SER 116 Cb -0.18 0.34 -0.16 0.00 -1.71 0.00 0.00 66.02 64.31 2daf s SER 116 CO 0.57 -0.38 1.16 -0.24 1.20 0.00 0.00 173.24 175.55 2daf n SER 117 N 0.76 0.72 0.00 5.45 2.88 -1.26 -5.29 113.62 116.87 2daf n SER 117 Ca -0.11 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 2daf n SER 117 Cb 0.58 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 2daf n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42