#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 3.73 -0.18 1.61 1.04 -1.26 -5.10 113.70 113.54 2daf s SER 2 Ca 0.00 -0.38 -0.04 0.00 0.48 0.00 0.00 55.95 56.01 2daf s SER 2 Cb 0.00 -1.40 0.08 0.00 0.10 0.00 0.00 66.02 64.80 2daf s SER 2 CO 0.00 0.19 0.21 -0.55 0.98 0.00 0.00 173.24 174.07 2daf s SER 3 N 0.17 1.35 0.00 7.02 0.15 -1.26 -4.97 113.70 116.16 2daf s SER 3 Ca -0.09 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2daf s SER 3 Cb -0.16 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 2daf s SER 3 CO 0.06 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2daf n GLY 4 N 5.32 -1.23 3.56 9.45 0.00 -1.26 -5.13 105.19 115.90 2daf n GLY 4 Ca -0.06 0.49 -0.58 0.00 0.00 0.00 0.00 46.02 45.87 2daf n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2daf n SER 5 N 0.00 0.68 -3.62 1.61 2.88 -1.26 -4.95 113.62 108.96 2daf n SER 5 Ca 0.00 1.15 -0.04 0.00 -1.33 0.00 0.00 58.87 58.65 2daf n SER 5 Cb 0.00 -1.00 -0.06 0.00 -0.75 0.00 0.00 64.21 62.40 2daf n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2daf s SER 6 N 0.65 -0.83 0.00 -3.46 0.01 -1.26 -5.17 113.70 103.64 2daf s SER 6 Ca 0.91 1.26 0.00 0.00 1.31 0.00 0.00 55.95 59.44 2daf s SER 6 Cb -1.21 1.55 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2daf s SER 6 CO 0.58 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.64 2daf n GLY 7 N 4.45 -1.36 2.96 3.44 0.00 -1.26 -5.04 105.19 108.37 2daf n GLY 7 Ca -0.17 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 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 0.00 1.67 -0.30 1.61 -0.21 -1.26 -5.10 119.66 116.07 2daf s GLN 8 Ca 0.00 -0.34 -0.15 0.00 0.02 0.00 0.00 55.36 54.89 2daf s GLN 8 Cb 0.00 -1.58 0.17 0.00 1.00 0.00 0.00 33.01 32.60 2daf s GLN 8 CO 0.00 -0.16 1.03 -2.00 -2.12 0.00 0.00 175.29 172.04 2daf s GLU 9 N 1.31 0.25 -0.57 2.91 2.56 -1.26 -5.11 118.70 118.79 2daf s GLU 9 Ca -0.02 0.59 0.04 0.00 0.00 0.00 0.00 54.97 55.58 2daf s GLU 9 Cb -0.14 0.35 0.16 0.00 2.00 0.00 0.00 34.13 36.50 2daf s GLU 9 CO -0.04 -0.12 0.37 0.45 -0.56 0.00 0.00 175.26 175.37 2daf s SER 10 N 2.48 3.87 0.17 -1.70 0.15 -1.26 -5.08 113.70 112.33 2daf s SER 10 Ca -0.01 -3.32 -0.13 0.00 0.70 0.00 0.00 55.95 53.19 2daf s SER 10 Cb -0.06 -1.28 0.01 0.00 -1.71 0.00 0.00 66.02 62.98 2daf s SER 10 CO -0.16 -0.16 0.40 0.68 1.20 0.00 0.00 173.24 175.19 2daf s VAL 11 N -0.61 0.05 -0.28 4.45 -7.23 -1.26 -5.07 120.40 110.45 2daf s VAL 11 Ca 0.24 -1.03 0.17 0.00 -1.81 0.00 0.00 61.98 59.55 2daf s VAL 11 Cb -0.11 -1.63 0.49 0.00 0.56 0.00 0.00 36.38 35.69 2daf s VAL 11 CO -0.11 -0.24 1.13 -1.84 -0.31 0.00 0.00 175.10 173.73 2daf n GLU 12 N -0.26 2.34 0.07 4.82 0.28 -1.26 -4.76 120.64 121.86 2daf n GLU 12 Ca -0.10 -3.73 -0.11 0.00 -0.16 0.00 0.00 57.16 53.06 2daf n GLU 12 Cb 0.63 -1.82 -0.13 0.00 1.43 0.00 0.00 31.44 31.55 2daf n GLU 12 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2daf h ASP 13 N 2.50 0.19 0.00 -1.84 3.32 -2.00 -3.40 116.42 115.19 2daf h ASP 13 Ca 0.03 -0.22 -0.21 0.00 0.02 0.00 0.00 57.03 56.65 2daf h ASP 13 Cb 1.34 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.79 2daf h ASP 13 CO 0.40 1.18 -1.76 -1.20 -1.72 0.00 0.00 179.24 176.14 2daf n SER 14 N -3.40 2.24 -4.53 6.45 7.64 -1.26 -4.37 113.62 116.40 2daf n SER 14 Ca -0.06 0.02 -0.52 0.00 1.01 0.00 0.00 58.87 59.32 2daf n SER 14 Cb 0.99 -0.28 -0.05 0.00 -1.01 0.00 0.00 64.21 63.86 2daf n SER 14 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2daf n LEU 15 N -3.16 0.65 -4.50 -3.43 4.77 -1.26 -2.59 117.00 107.48 2daf n LEU 15 Ca -0.25 1.14 -0.24 0.00 -0.03 0.00 0.00 56.01 56.63 2daf n LEU 15 Cb 0.73 -1.09 -0.10 0.00 -2.33 0.00 0.00 43.42 40.63 2daf n LEU 15 CO 0.09 -1.73 -0.41 0.00 -1.33 0.00 0.00 177.39 174.01 2daf s ALA 16 N -0.20 2.76 -0.44 -1.18 0.00 -0.94 -2.73 121.76 119.03 2daf s ALA 16 Ca 0.78 -1.98 -0.24 0.00 0.00 0.00 0.00 51.96 50.52 2daf s ALA 16 Cb -0.99 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.08 2daf s ALA 16 CO 0.54 0.11 0.83 0.99 0.00 0.00 0.00 175.76 178.23 2daf s THR 17 N -2.66 4.61 -0.30 0.00 2.01 0.19 -2.87 115.64 116.62 2daf s THR 17 Ca 0.31 0.61 -0.02 0.00 0.31 0.00 0.00 61.69 62.91 2daf s THR 17 Cb 0.00 -4.33 0.05 0.00 0.01 0.00 0.00 72.50 68.23 2daf s THR 17 CO 0.15 -0.69 -0.00 -0.69 -0.69 0.00 0.00 174.62 172.69 2daf s VAL 18 N 3.39 2.95 0.13 3.82 1.01 -1.25 -1.15 120.40 129.31 2daf s VAL 18 Ca 0.32 -1.41 -0.28 0.00 0.00 0.00 0.00 61.98 60.61 2daf s VAL 18 Cb -0.12 -2.71 -0.07 0.00 0.00 0.00 0.00 36.38 33.49 2daf s VAL 18 CO 0.23 -0.12 0.87 -0.54 0.00 0.00 0.00 175.10 175.54 2daf s LYS 19 N 1.24 4.66 -0.10 2.72 1.02 -0.82 -3.35 119.74 125.11 2daf s LYS 19 Ca -0.05 1.31 0.02 0.00 0.02 0.00 0.00 55.97 57.27 2daf s LYS 19 Cb -0.20 -3.33 -0.01 0.00 -0.52 0.00 0.00 37.83 33.77 2daf s LYS 19 CO -0.01 0.36 -0.18 0.08 -0.92 0.00 0.00 175.35 174.68 2daf s VAL 20 N -0.48 2.61 -0.09 3.17 1.01 0.12 -1.22 120.40 125.52 2daf s VAL 20 Ca 0.41 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.58 2daf s VAL 20 Cb -0.23 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.12 2daf s VAL 20 CO 0.28 0.55 -0.14 -0.69 0.00 0.00 0.00 175.10 175.10 2daf s VAL 21 N 0.17 1.32 -0.02 2.92 1.01 -0.77 -0.28 120.40 124.75 2daf s VAL 21 Ca -0.10 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 2daf s VAL 21 Cb -0.16 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 2daf s VAL 21 CO 0.06 0.40 1.10 -0.76 0.00 0.00 0.00 175.10 175.91 2daf s LEU 22 N 0.89 4.32 -0.03 3.92 1.43 -0.84 -1.38 118.68 126.99 2daf s LEU 22 Ca -0.09 1.76 -0.19 0.00 -1.03 0.00 0.00 54.13 54.58 2daf s LEU 22 Cb -0.15 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.39 2daf s LEU 22 CO 0.01 -0.45 0.79 0.40 0.23 0.00 0.00 176.35 177.33 2daf h ILE 23 N 4.86 0.23 -0.15 -0.59 1.08 -1.57 0.91 117.51 122.29 2daf h ILE 23 Ca -0.37 -0.67 -0.12 0.00 -0.39 0.00 0.00 64.86 63.31 2daf h ILE 23 Cb 1.19 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 35.30 2daf h ILE 23 CO 0.83 0.05 -0.45 1.55 -0.69 0.00 0.00 178.15 179.44 2daf h PRO 24 N -1.07 0.37 0.05 2.37 0.13 -1.92 -3.30 132.00 128.63 2daf h PRO 24 Ca -0.05 -0.19 -0.23 0.00 -0.87 0.00 0.00 66.00 64.66 2daf h PRO 24 Cb 0.49 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.61 2daf h PRO 24 CO 0.09 0.75 -1.19 0.28 -0.23 0.00 0.00 178.00 177.69 2daf h VAL 25 N 0.30 1.06 0.00 1.56 2.07 -1.83 -3.49 116.25 115.93 2daf h VAL 25 Ca 0.02 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.24 2daf h VAL 25 Cb 0.91 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 2daf h VAL 25 CO 0.08 0.55 0.00 0.61 0.02 0.00 0.00 177.57 178.82 2daf n GLY 26 N 1.62 0.93 3.64 2.17 0.00 0.32 -4.99 105.19 108.87 2daf n GLY 26 Ca -0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.43 -0.44 -0.06 1.61 0.74 -1.25 -4.68 119.66 115.15 2daf s GLN 27 Ca 0.00 0.18 0.02 0.00 0.05 0.00 0.00 55.36 55.61 2daf s GLN 27 Cb 0.00 -1.67 0.01 0.00 1.10 0.00 0.00 33.01 32.46 2daf s GLN 27 CO 0.00 -3.24 -0.11 -1.21 -0.55 0.00 0.00 175.29 170.18 2daf s GLU 28 N -5.21 1.56 -0.03 1.67 2.02 -1.26 -1.98 118.70 115.47 2daf s GLU 28 Ca 0.68 -0.36 0.01 0.00 0.02 0.00 0.00 54.97 55.32 2daf s GLU 28 Cb -0.14 -1.33 0.02 0.00 0.10 0.00 0.00 34.13 32.78 2daf s GLU 28 CO 0.57 -0.00 -0.03 0.42 0.02 0.00 0.00 175.26 176.24 2daf s ILE 29 N 0.75 0.34 -0.12 -1.63 1.01 0.62 -4.92 121.20 117.24 2daf s ILE 29 Ca -0.13 -0.06 -0.00 0.00 0.00 0.00 0.00 60.65 60.46 2daf s ILE 29 Cb -0.15 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 2daf s ILE 29 CO 0.03 0.16 -0.12 -0.69 0.00 0.00 0.00 174.94 174.32 2daf s VAL 30 N 0.68 3.19 -0.16 2.92 1.01 -1.26 0.16 120.40 126.93 2daf s VAL 30 Ca -0.08 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 2daf s VAL 30 Cb -0.11 -2.34 0.05 0.00 0.00 0.00 0.00 36.38 33.98 2daf s VAL 30 CO -0.01 0.53 0.42 -0.51 0.00 0.00 0.00 175.10 175.54 2daf s ILE 31 N 0.20 -0.01 0.22 2.22 2.07 -1.21 -5.01 121.20 119.68 2daf s ILE 31 Ca -0.07 0.03 -0.30 0.00 -1.41 0.00 0.00 60.65 58.90 2daf s ILE 31 Cb -0.15 -0.60 -0.09 0.00 0.13 0.00 0.00 42.46 41.75 2daf s ILE 31 CO 0.05 0.01 1.29 -2.16 -1.91 0.00 0.00 174.94 172.22 2daf s PRO 32 N 0.65 4.41 -0.01 3.50 0.04 -1.26 -3.75 135.00 138.58 2daf s PRO 32 Ca -0.03 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.03 2daf s PRO 32 Cb -0.05 -3.18 -0.00 0.00 0.04 0.00 0.00 34.50 31.31 2daf s PRO 32 CO -0.04 -0.20 0.05 0.12 0.04 0.00 0.00 177.00 176.96 2daf s PHE 33 N -0.14 0.02 0.33 0.56 5.36 -1.14 -4.99 117.98 117.99 2daf s PHE 33 Ca 0.55 -0.04 -0.27 0.00 -0.96 0.00 0.00 56.93 56.20 2daf s PHE 33 Cb -0.36 -0.04 -0.09 0.00 -0.34 0.00 0.00 43.02 42.19 2daf s PHE 33 CO 0.40 -0.10 1.10 0.15 -1.46 0.00 0.00 175.22 175.32 2daf s LYS 34 N -0.49 4.41 0.36 10.12 3.01 -1.26 -2.21 119.74 133.68 2daf s LYS 34 Ca -0.06 1.75 0.24 0.00 -1.01 0.00 0.00 55.97 56.90 2daf s LYS 34 Cb -0.04 -2.93 0.54 0.00 -1.01 0.00 0.00 37.83 34.39 2daf s LYS 34 CO 0.00 0.02 1.68 -0.39 0.51 0.00 0.00 175.35 177.17 2daf h VAL 35 N 2.73 0.00 0.00 3.17 -1.51 -1.94 -3.18 116.25 115.52 2daf h VAL 35 Ca -0.48 -0.80 -0.04 0.00 -1.23 0.00 0.00 66.70 64.15 2daf h VAL 35 Cb 1.22 1.80 -0.01 0.00 -2.13 0.00 0.00 31.29 32.17 2daf h VAL 35 CO 0.65 0.00 -1.32 -0.90 -1.23 0.00 0.00 177.57 174.76 2daf n ASP 36 N -2.81 0.65 -4.73 4.19 5.68 -1.26 -2.60 116.55 115.68 2daf n ASP 36 Ca 0.04 0.26 -0.40 0.00 -0.50 0.00 0.00 54.79 54.19 2daf n ASP 36 Cb 0.49 0.73 -0.04 0.00 -1.14 0.00 0.00 41.12 41.15 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 -3.29 4.79 1.07 2.12 2.01 -1.20 -4.93 115.64 116.21 2daf s THR 37 Ca -0.03 1.73 -0.17 0.00 0.31 0.00 0.00 61.69 63.54 2daf s THR 37 Cb 0.10 -4.17 0.09 0.00 0.01 0.00 0.00 72.50 68.53 2daf s THR 37 CO 0.82 0.30 0.14 2.30 -0.69 0.00 0.00 174.62 177.49 2daf n ILE 38 N 3.20 0.00 -0.02 1.82 -5.35 -1.26 -4.53 119.36 113.22 2daf n ILE 38 Ca 0.00 -0.27 -0.16 0.00 -0.27 0.00 0.00 62.75 62.05 2daf n ILE 38 Cb 0.50 -0.62 -0.09 0.00 -1.74 0.00 0.00 39.64 37.70 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 -1.93 0.60 -0.73 7.28 3.38 -1.41 -3.33 115.31 119.16 2daf h LEU 39 Ca -0.51 -0.67 0.07 0.00 0.09 0.00 0.00 57.88 56.86 2daf h LEU 39 Cb 1.34 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.82 2daf h LEU 39 CO 0.37 1.17 -0.43 1.17 0.09 0.00 0.00 178.44 180.81 2daf n LYS 40 N -4.23 -0.32 -0.28 1.13 4.81 -1.18 0.80 118.16 118.88 2daf n LYS 40 Ca -0.09 1.14 0.08 0.00 -0.87 0.00 0.00 58.31 58.57 2daf n LYS 40 Cb 0.62 -1.68 0.16 0.00 0.02 0.00 0.00 35.03 34.15 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 -4.86 0.38 -0.00 5.64 4.02 -1.25 0.23 117.16 121.32 2daf n TYR 41 Ca 0.01 0.97 -0.10 0.00 -0.01 0.00 0.00 57.90 58.78 2daf n TYR 41 Cb 0.19 -1.02 0.04 0.00 -0.02 0.00 0.00 39.34 38.54 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 0.65 0.26 7.72 5.85 0.20 -3.25 115.31 126.73 2daf h LEU 42 Ca 0.42 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2daf h LEU 42 Cb 0.75 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2daf h LEU 42 CO -0.80 1.07 -0.12 0.50 -0.34 0.00 0.00 178.44 178.75 2daf h LYS 43 N 0.44 -0.33 -1.31 1.25 3.64 0.42 -3.11 116.57 117.57 2daf h LYS 43 Ca 0.01 0.02 0.40 0.00 -1.27 0.00 0.00 60.65 59.81 2daf h LYS 43 Cb 1.11 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.93 2daf h LYS 43 CO 0.11 -0.22 0.91 -3.47 -2.27 0.00 0.00 179.45 174.51 2daf n ASP 44 N -3.35 0.06 0.09 4.20 2.03 0.15 -0.29 116.55 119.44 2daf n ASP 44 Ca -0.04 0.86 -0.03 0.00 0.52 0.00 0.00 54.79 56.10 2daf n ASP 44 Cb 0.14 -0.43 -0.02 0.00 -0.72 0.00 0.00 41.12 40.09 2daf n ASP 44 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 2daf h HIS 45 N 0.00 -0.21 -0.99 -0.67 2.76 -1.57 -2.36 115.15 112.12 2daf h HIS 45 Ca 0.69 -0.00 0.25 0.00 -2.20 0.00 0.00 60.37 59.10 2daf h HIS 45 Cb 2.57 0.07 -0.07 0.00 1.55 0.00 0.00 27.41 31.52 2daf h HIS 45 CO -0.00 -0.13 0.65 0.74 -1.30 0.00 0.00 177.93 177.89 2daf h PHE 46 N -0.24 0.51 0.13 5.26 -1.00 -0.69 -2.17 116.94 118.74 2daf h PHE 46 Ca -0.02 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 2daf h PHE 46 Cb 0.17 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.58 2daf h PHE 46 CO 0.18 0.09 -0.10 0.77 -1.61 0.00 0.00 178.31 177.64 2daf h SER 47 N 0.34 -0.27 -0.32 2.17 0.02 -1.25 0.16 113.55 114.40 2daf h SER 47 Ca 0.53 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.57 2daf h SER 47 Cb 1.44 0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.98 2daf h SER 47 CO -0.20 -0.14 -0.33 1.12 -1.14 0.00 0.00 176.83 176.14 2daf h HIS 48 N -0.22 -0.92 -0.33 3.45 2.07 -0.99 0.48 115.15 118.69 2daf h HIS 48 Ca -0.02 0.05 0.07 0.00 -2.85 0.00 0.00 60.37 57.63 2daf h HIS 48 Cb 0.18 0.45 -0.08 0.00 2.57 0.00 0.00 27.41 30.53 2daf h HIS 48 CO -0.02 -0.39 -0.29 1.25 -3.07 0.00 0.00 177.93 175.40 2daf h LEU 49 N -0.30 -0.95 -1.79 6.12 7.12 -1.38 0.16 115.31 124.30 2daf h LEU 49 Ca 0.15 0.17 -0.03 0.00 0.13 0.00 0.00 57.88 58.29 2daf h LEU 49 Cb 0.54 0.45 -0.00 0.00 -0.53 0.00 0.00 40.66 41.12 2daf h LEU 49 CO -0.49 -0.31 -0.15 -0.07 -0.13 0.00 0.00 178.44 177.29 2daf h LEU 50 N -0.26 0.00 0.00 2.25 3.38 0.14 -3.46 115.31 117.35 2daf h LEU 50 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 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 -0.47 0.15 0.00 0.61 0.09 0.00 0.00 178.44 178.82 2daf n GLY 51 N -0.74 0.76 3.42 0.83 0.00 0.16 -4.93 105.19 104.69 2daf n GLY 51 Ca -0.02 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 2.44 0.78 -0.61 -4.36 -0.73 -4.97 121.20 111.74 2daf s ILE 52 Ca 0.00 -1.65 -0.11 0.00 -0.26 0.00 0.00 60.65 58.64 2daf s ILE 52 Cb 0.00 -2.08 0.06 0.00 1.25 0.00 0.00 42.46 41.68 2daf s ILE 52 CO 0.00 0.12 1.09 -2.16 0.24 0.00 0.00 174.94 174.23 2daf s PRO 53 N -2.02 2.23 0.22 0.37 0.04 -1.26 -4.05 135.00 130.53 2daf s PRO 53 Ca 0.15 1.16 0.24 0.00 0.04 0.00 0.00 61.00 62.60 2daf s PRO 53 Cb -0.10 -1.89 0.37 0.00 0.04 0.00 0.00 34.50 32.91 2daf s PRO 53 CO 0.07 -1.66 1.41 1.12 0.04 0.00 0.00 177.00 177.98 2daf h HIS 54 N -1.14 0.00 -0.18 0.56 2.07 -1.95 -3.26 115.15 111.25 2daf h HIS 54 Ca -0.44 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.14 2daf h HIS 54 Cb 1.23 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.20 2daf h HIS 54 CO 0.58 0.00 0.28 1.03 -3.07 0.00 0.00 177.93 176.74 2daf h SER 55 N 0.00 0.00 0.00 3.10 0.87 -2.04 -1.99 113.55 113.49 2daf h SER 55 Ca 0.00 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.31 2daf h SER 55 Cb 0.85 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.76 2daf h SER 55 CO 0.00 0.00 -1.93 1.33 -0.53 0.00 0.00 176.83 175.70 2daf n VAL 56 N -3.50 0.93 -2.72 2.23 0.24 -1.25 -4.98 118.33 109.29 2daf n VAL 56 Ca 0.02 -0.53 -0.41 0.00 -2.04 0.00 0.00 64.34 61.38 2daf n VAL 56 Cb 0.39 -0.73 -0.05 0.00 -1.47 0.00 0.00 33.84 31.98 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 -5.16 4.55 0.35 1.34 2.96 -0.75 -0.52 118.68 121.46 2daf s LEU 57 Ca -0.10 1.87 0.07 0.00 -0.22 0.00 0.00 54.13 55.76 2daf s LEU 57 Cb 0.04 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 2daf s LEU 57 CO 0.52 -0.01 0.27 -1.10 -1.32 0.00 0.00 176.35 174.71 2daf s GLN 58 N -0.42 1.82 0.16 1.98 -0.21 -0.54 -4.80 119.66 117.65 2daf s GLN 58 Ca 0.45 -2.07 0.05 0.00 0.02 0.00 0.00 55.36 53.81 2daf s GLN 58 Cb -0.25 0.19 -0.04 0.00 1.00 0.00 0.00 33.01 33.91 2daf s GLN 58 CO 0.31 -0.65 -0.12 0.42 -2.12 0.00 0.00 175.29 173.14 2daf s ILE 59 N -3.37 1.32 -0.01 1.08 1.01 -1.26 -3.21 121.20 116.76 2daf s ILE 59 Ca 0.38 -2.04 0.01 0.00 0.00 0.00 0.00 60.65 59.00 2daf s ILE 59 Cb 0.02 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.65 2daf s ILE 59 CO 0.27 -0.66 -0.04 -0.60 0.00 0.00 0.00 174.94 173.90 2daf s ARG 60 N -3.56 0.34 -0.16 2.79 3.52 -0.96 -3.49 118.95 117.43 2daf s ARG 60 Ca 0.17 -0.13 -0.07 0.00 -0.13 0.00 0.00 55.73 55.57 2daf s ARG 60 Cb 0.01 -0.34 0.07 0.00 -1.56 0.00 0.00 34.95 33.12 2daf s ARG 60 CO 0.02 0.06 0.36 -0.47 -0.81 0.00 0.00 175.30 174.47 2daf s TYR 61 N 0.02 -0.58 -1.46 5.12 5.04 -0.54 -2.85 117.35 122.10 2daf s TYR 61 Ca 0.00 1.22 -0.10 0.00 -2.44 0.00 0.00 57.07 55.75 2daf s TYR 61 Cb -0.03 0.19 0.05 0.00 0.35 0.00 0.00 41.96 42.51 2daf s TYR 61 CO -0.00 -0.37 0.94 -1.13 -1.34 0.00 0.00 175.55 173.65 2daf n SER 62 N 4.78 -5.49 -1.15 4.32 3.41 -1.26 -0.69 113.62 117.54 2daf n SER 62 Ca -0.16 -0.58 -0.14 0.00 -0.26 0.00 0.00 58.87 57.73 2daf n SER 62 Cb 0.52 -4.38 -0.06 0.00 -0.26 0.00 0.00 64.21 60.03 2daf n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2daf n GLY 63 N -1.73 1.36 3.50 5.00 0.00 -1.26 -4.99 105.19 107.08 2daf n GLY 63 Ca 0.00 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.34 1.74 -0.47 1.61 1.02 0.14 -5.11 119.74 115.32 2daf s LYS 64 Ca 0.00 -1.86 -0.13 0.00 0.02 0.00 0.00 55.97 54.01 2daf s LYS 64 Cb 0.00 -1.68 0.10 0.00 -0.52 0.00 0.00 37.83 35.73 2daf s LYS 64 CO 0.00 0.20 0.37 0.42 -0.92 0.00 0.00 175.35 175.43 2daf s ILE 65 N -2.61 4.74 0.32 2.17 -1.09 -1.26 -1.46 121.20 122.01 2daf s ILE 65 Ca 0.31 -1.41 -0.28 0.00 -2.23 0.00 0.00 60.65 57.04 2daf s ILE 65 Cb -0.00 -3.96 -0.09 0.00 -1.58 0.00 0.00 42.46 36.83 2daf s ILE 65 CO 0.15 -0.67 1.09 -0.76 -1.23 0.00 0.00 174.94 173.53 2daf s LEU 66 N 1.51 4.41 0.33 2.97 1.43 -1.23 -5.02 118.68 123.08 2daf s LEU 66 Ca 0.04 2.22 0.03 0.00 -1.03 0.00 0.00 54.13 55.39 2daf s LEU 66 Cb -0.26 -3.81 -0.02 0.00 0.03 0.00 0.00 46.19 42.13 2daf s LEU 66 CO 0.03 -0.29 0.50 -0.75 0.23 0.00 0.00 176.35 176.07 2daf s LYS 67 N -1.81 3.30 0.05 1.70 2.20 -1.26 -4.53 119.74 119.39 2daf s LYS 67 Ca 0.49 -0.65 -0.29 0.00 -0.36 0.00 0.00 55.97 55.17 2daf s LYS 67 Cb -0.29 -2.75 -0.17 0.00 -1.51 0.00 0.00 37.83 33.11 2daf s LYS 67 CO 0.37 0.13 1.46 -2.95 -0.36 0.00 0.00 175.35 174.00 2daf h ASN 68 N 0.84 -0.55 0.17 1.43 7.08 -1.97 -2.21 115.58 120.37 2daf h ASN 68 Ca -0.49 -0.04 0.00 0.00 -3.08 0.00 0.00 56.30 52.69 2daf h ASN 68 Cb 1.24 0.14 0.00 0.00 -2.08 0.00 0.00 38.32 37.62 2daf h ASN 68 CO 0.58 -0.29 0.00 0.59 -2.08 0.00 0.00 177.43 176.23 2daf n ASN 69 N -5.32 0.00 -4.83 6.14 4.13 -1.26 -3.11 115.26 111.01 2daf n ASN 69 Ca -0.11 0.17 -0.32 0.00 1.68 0.00 0.00 54.58 56.00 2daf n ASN 69 Cb 0.30 -0.29 0.00 0.00 -1.54 0.00 0.00 39.78 38.25 2daf n ASN 69 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2daf s GLU 70 N -2.58 3.53 0.19 3.52 2.56 -0.83 -4.91 118.70 120.18 2daf s GLU 70 Ca 0.08 0.97 0.07 0.00 0.00 0.00 0.00 54.97 56.10 2daf s GLU 70 Cb 0.06 -2.07 -0.05 0.00 2.00 0.00 0.00 34.13 34.07 2daf s GLU 70 CO 0.13 -0.62 -0.15 0.99 -0.56 0.00 0.00 175.26 175.06 2daf s THR 71 N -2.78 1.67 0.13 -1.70 2.01 -1.26 -2.08 115.64 111.63 2daf s THR 71 Ca 0.59 -2.12 -0.15 0.00 0.31 0.00 0.00 61.69 60.32 2daf s THR 71 Cb -0.12 -1.96 -0.01 0.00 0.01 0.00 0.00 72.50 70.41 2daf s THR 71 CO 0.42 -0.56 1.60 -0.07 -0.69 0.00 0.00 174.62 175.32 2daf h LEU 72 N 2.74 0.68 -2.40 4.42 -0.00 -1.79 -2.37 115.31 116.57 2daf h LEU 72 Ca -0.39 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.22 2daf h LEU 72 Cb 1.21 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.69 2daf h LEU 72 CO 0.60 0.78 0.00 -0.37 -0.00 0.00 0.00 178.44 179.45 2daf h VAL 73 N 0.55 0.00 0.01 1.22 -1.51 -1.64 -1.56 116.25 113.32 2daf h VAL 73 Ca 0.12 -0.16 -0.21 0.00 -1.23 0.00 0.00 66.70 65.23 2daf h VAL 73 Cb 0.41 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 2daf h VAL 73 CO 0.01 0.00 -0.92 1.56 -1.23 0.00 0.00 177.57 177.00 2daf h GLN 74 N 0.00 0.22 0.00 5.19 4.20 -1.73 -3.20 115.11 119.78 2daf h GLN 74 Ca 0.00 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.46 2daf h GLN 74 Cb 0.16 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2daf h GLN 74 CO 0.00 0.99 -0.59 0.45 -0.67 0.00 0.00 178.83 179.01 2daf h HIS 75 N 0.11 0.00 0.00 2.96 3.86 -1.23 -3.48 115.15 117.38 2daf h HIS 75 Ca -0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2daf h HIS 75 Cb 1.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.03 2daf h HIS 75 CO 0.03 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.23 2daf n GLY 76 N 1.19 0.50 2.96 2.45 0.00 -0.75 -5.13 105.19 106.41 2daf n GLY 76 Ca 0.02 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 2daf n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2daf s VAL 77 N -0.51 1.02 0.34 1.61 1.01 -0.89 -4.97 120.40 118.01 2daf s VAL 77 Ca 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.63 2daf s VAL 77 Cb 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 2daf s VAL 77 CO 0.00 0.35 0.53 -0.54 0.00 0.00 0.00 175.10 175.43 2daf s LYS 78 N 1.10 3.41 0.63 2.72 -0.14 -1.26 -4.06 119.74 122.15 2daf s LYS 78 Ca -0.07 -0.46 -0.16 0.00 -1.36 0.00 0.00 55.97 53.93 2daf s LYS 78 Cb -0.14 -2.70 -0.01 0.00 -1.68 0.00 0.00 37.83 33.30 2daf s LYS 78 CO -0.01 0.15 1.12 -1.25 -0.76 0.00 0.00 175.35 174.59 2daf s PRO 79 N -4.28 2.91 -1.33 -1.68 0.04 -1.26 -3.71 135.00 125.70 2daf s PRO 79 Ca 0.40 1.44 -0.06 0.00 0.04 0.00 0.00 61.00 62.82 2daf s PRO 79 Cb -0.10 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.50 2daf s PRO 79 CO 0.35 -1.17 1.07 1.04 0.04 0.00 0.00 177.00 178.33 2daf n GLN 80 N -2.18 -7.09 -4.39 4.56 6.02 -1.07 -4.96 117.38 108.27 2daf n GLN 80 Ca 0.11 0.80 -0.20 0.00 -0.01 0.00 0.00 57.00 57.69 2daf n GLN 80 Cb 0.52 -5.79 -0.10 0.00 1.02 0.00 0.00 30.24 25.89 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 1.46 -0.10 -1.09 -1.05 -1.24 -4.91 118.70 105.74 2daf s GLU 81 Ca 0.38 -1.71 0.01 0.00 -0.15 0.00 0.00 54.97 53.49 2daf s GLU 81 Cb -0.17 -1.11 -0.02 0.00 -0.44 0.00 0.00 34.13 32.39 2daf s GLU 81 CO 0.75 0.08 -0.11 0.42 0.95 0.00 0.00 175.26 177.34 2daf s ILE 82 N -3.02 3.27 0.31 1.83 1.09 -1.26 0.54 121.20 123.96 2daf s ILE 82 Ca 0.27 -0.61 0.04 0.00 -1.10 0.00 0.00 60.65 59.25 2daf s ILE 82 Cb 0.02 -2.34 -0.03 0.00 -1.06 0.00 0.00 42.46 39.05 2daf s ILE 82 CO 0.10 0.56 0.29 0.68 -0.10 0.00 0.00 174.94 176.47 2daf s VAL 83 N -0.20 0.00 -0.03 2.92 -7.23 -0.30 -5.00 120.40 110.57 2daf s VAL 83 Ca 0.01 -1.93 -0.01 0.00 -1.81 0.00 0.00 61.98 58.24 2daf s VAL 83 Cb -0.13 -2.52 0.03 0.00 0.56 0.00 0.00 36.38 34.32 2daf s VAL 83 CO 0.03 0.00 0.05 -1.58 -0.31 0.00 0.00 175.10 173.29 2daf s GLN 84 N -3.49 -0.06 0.12 4.82 0.74 -1.26 -1.95 119.66 118.58 2daf s GLN 84 Ca 0.39 0.29 0.06 0.00 0.05 0.00 0.00 55.36 56.15 2daf s GLN 84 Cb 0.03 -0.39 -0.04 0.00 1.10 0.00 0.00 33.01 33.71 2daf s GLN 84 CO 0.24 -0.26 -0.16 0.14 -0.55 0.00 0.00 175.29 174.71 2daf s VAL 85 N 1.67 1.42 0.05 1.34 -7.23 -0.36 -4.81 120.40 112.47 2daf s VAL 85 Ca -0.01 -1.66 0.06 0.00 -1.81 0.00 0.00 61.98 58.55 2daf s VAL 85 Cb -0.12 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 2daf s VAL 85 CO -0.03 -0.33 -0.12 -1.61 -0.31 0.00 0.00 175.10 172.70 2daf s GLU 86 N -2.45 2.23 0.08 4.82 2.02 -1.13 -1.86 118.70 122.41 2daf s GLU 86 Ca 0.08 -0.92 0.10 0.00 0.02 0.00 0.00 54.97 54.25 2daf s GLU 86 Cb -0.06 -2.32 -0.03 0.00 0.10 0.00 0.00 34.13 31.81 2daf s GLU 86 CO 0.04 0.55 -0.26 0.42 0.02 0.00 0.00 175.26 176.02 2daf s ILE 87 N -1.04 2.22 0.07 -1.63 1.01 -0.48 -2.28 121.20 119.07 2daf s ILE 87 Ca 0.18 -1.53 -0.27 0.00 0.00 0.00 0.00 60.65 59.03 2daf s ILE 87 Cb -0.11 -1.91 0.08 0.00 0.01 0.00 0.00 42.46 40.53 2daf s ILE 87 CO 0.09 0.26 0.91 0.72 0.00 0.00 0.00 174.94 176.92 2daf s PHE 88 N -0.91 -0.26 -0.08 3.97 -0.12 -1.20 -1.36 117.98 118.02 2daf s PHE 88 Ca 0.13 0.05 0.03 0.00 -0.05 0.00 0.00 56.93 57.09 2daf s PHE 88 Cb -0.10 0.58 -0.02 0.00 -0.63 0.00 0.00 43.02 42.86 2daf s PHE 88 CO 0.04 -0.67 -0.18 0.45 -0.05 0.00 0.00 175.22 174.81 2daf s SER 89 N -2.69 3.68 0.22 1.98 0.15 -1.26 -1.46 113.70 114.32 2daf s SER 89 Ca 0.08 -0.36 -0.08 0.00 0.70 0.00 0.00 55.95 56.29 2daf s SER 89 Cb -0.01 -1.16 0.19 0.00 -1.71 0.00 0.00 66.02 63.33 2daf s SER 89 CO -0.04 0.24 1.83 0.71 1.20 0.00 0.00 173.24 177.18 2daf h THR 90 N 5.03 1.26 -3.33 6.45 1.35 -1.15 -3.31 112.91 119.20 2daf h THR 90 Ca -0.33 -0.67 -0.70 0.00 -0.55 0.00 0.00 66.41 64.17 2daf h THR 90 Cb 1.19 0.12 -0.36 0.00 -1.73 0.00 0.00 68.15 67.37 2daf h THR 90 CO 0.51 0.30 -0.17 0.20 -0.25 0.00 0.00 175.52 176.10 2daf s ASN 91 N -6.23 5.79 0.21 5.36 -0.87 -1.26 -4.89 114.94 113.05 2daf s ASN 91 Ca -0.13 -3.62 -0.02 0.00 -1.57 0.00 0.00 52.86 47.52 2daf s ASN 91 Cb 0.16 -1.88 0.18 0.00 -0.02 0.00 0.00 41.25 39.70 2daf s ASN 91 CO 0.83 -0.20 1.57 1.55 -2.57 0.00 0.00 177.10 178.28 2daf h PRO 92 N 6.10 0.58 -0.60 -0.60 0.13 -1.74 0.36 132.00 136.22 2daf h PRO 92 Ca 0.13 -0.31 -0.02 0.00 -0.87 0.00 0.00 66.00 64.93 2daf h PRO 92 Cb 0.83 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.94 2daf h PRO 92 CO 0.82 0.90 0.28 -0.44 -0.23 0.00 0.00 178.00 179.33 2daf h ASP 93 N 0.48 0.77 0.00 1.44 3.32 -1.94 -1.50 116.42 118.98 2daf h ASP 93 Ca 0.04 -0.08 -0.17 0.00 0.02 0.00 0.00 57.03 56.84 2daf h ASP 93 Cb 0.94 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 2daf h ASP 93 CO 0.08 0.66 -1.05 -0.07 -1.72 0.00 0.00 179.24 177.15 2daf h LEU 94 N 0.85 0.00 -6.90 1.55 3.38 -1.95 -3.43 115.31 108.81 2daf h LEU 94 Ca 0.21 -0.37 -0.61 0.00 0.09 0.00 0.00 57.88 57.19 2daf h LEU 94 Cb 0.10 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.44 2daf h LEU 94 CO -0.03 1.29 -0.68 -0.31 0.09 0.00 0.00 178.44 178.80 2daf s TYR 95 N -2.32 2.86 0.71 1.13 1.51 0.12 -5.11 117.35 116.26 2daf s TYR 95 Ca -0.25 -3.05 -0.13 0.00 -1.01 0.00 0.00 57.07 52.64 2daf s TYR 95 Cb 0.05 -2.21 0.03 0.00 -0.11 0.00 0.00 41.96 39.71 2daf s TYR 95 CO 0.49 -0.63 1.10 -1.25 -1.11 0.00 0.00 175.55 174.15 2daf s PRO 96 N -0.99 2.55 -0.21 -1.71 0.04 -0.57 -4.27 135.00 129.84 2daf s PRO 96 Ca 0.27 1.29 -0.13 0.00 0.04 0.00 0.00 61.00 62.46 2daf s PRO 96 Cb -0.03 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2daf s PRO 96 CO -0.17 -1.43 0.28 0.08 0.04 0.00 0.00 177.00 175.80 2daf s VAL 97 N -2.60 5.28 0.48 -0.36 1.01 -1.26 -4.96 120.40 118.00 2daf s VAL 97 Ca 0.64 0.45 0.05 0.00 0.00 0.00 0.00 61.98 63.13 2daf s VAL 97 Cb -0.19 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2daf s VAL 97 CO 0.48 0.31 0.25 -0.13 0.00 0.00 0.00 175.10 176.01 2daf s ARG 98 N 1.09 2.25 0.56 2.72 1.81 -1.26 -4.64 118.95 121.48 2daf s ARG 98 Ca 0.13 -2.00 -0.16 0.00 -1.72 0.00 0.00 55.73 51.98 2daf s ARG 98 Cb -0.14 -1.97 -0.06 0.00 -0.45 0.00 0.00 34.95 32.33 2daf s ARG 98 CO 0.06 -0.37 1.03 1.03 -0.68 0.00 0.00 175.30 176.36 2daf s ARG 99 N -4.07 3.59 0.42 3.54 0.52 -1.26 -5.00 118.95 116.70 2daf s ARG 99 Ca 0.32 1.11 -0.20 0.00 -0.52 0.00 0.00 55.73 56.44 2daf s ARG 99 Cb 0.01 -2.08 -0.10 0.00 0.52 0.00 0.00 34.95 33.29 2daf s ARG 99 CO 0.19 -0.58 0.92 0.42 0.02 0.00 0.00 175.30 176.27 2daf s ILE 100 N -2.51 4.44 0.01 1.52 -1.09 -1.26 -4.97 121.20 117.35 2daf s ILE 100 Ca 0.62 1.39 0.06 0.00 -2.23 0.00 0.00 60.65 60.49 2daf s ILE 100 Cb -0.13 -3.61 -0.02 0.00 -1.58 0.00 0.00 42.46 37.11 2daf s ILE 100 CO 0.34 -0.33 -0.19 -0.62 -1.23 0.00 0.00 174.94 172.91 2daf s ASP 101 N -2.27 2.29 0.00 3.58 2.15 -1.26 -4.83 116.67 116.33 2daf s ASP 101 Ca 0.61 -0.42 0.00 0.00 0.43 0.00 0.00 52.55 53.16 2daf s ASP 101 Cb -0.09 -0.22 0.00 0.00 -0.30 0.00 0.00 42.92 42.31 2daf s ASP 101 CO 0.15 0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.95 2daf n GLY 102 N 2.26 4.07 3.25 2.66 0.00 -1.26 -5.10 105.19 111.07 2daf n GLY 102 Ca -0.16 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 44.92 2daf n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2daf s LEU 103 N 0.00 2.49 -0.30 0.99 2.96 -1.26 -5.13 118.68 118.43 2daf s LEU 103 Ca 0.00 -0.95 0.02 0.00 -0.22 0.00 0.00 54.13 52.99 2daf s LEU 103 Cb 0.00 -0.43 0.09 0.00 0.50 0.00 0.00 46.19 46.35 2daf s LEU 103 CO 0.00 -0.26 0.02 -0.89 -1.32 0.00 0.00 176.35 173.90 2daf s THR 104 N -2.92 1.83 0.33 3.68 2.01 -1.26 -5.05 115.64 114.25 2daf s THR 104 Ca 0.14 -1.84 0.07 0.00 0.31 0.00 0.00 61.69 60.37 2daf s THR 104 Cb -0.00 -2.25 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 2daf s THR 104 CO 0.02 -0.45 0.42 -0.62 -0.69 0.00 0.00 174.62 173.30 2daf s ASP 105 N 1.17 5.77 0.06 3.53 2.15 -1.26 -5.14 116.67 122.96 2daf s ASP 105 Ca 0.05 -0.28 0.01 0.00 0.43 0.00 0.00 52.55 52.76 2daf s ASP 105 Cb -0.19 -1.16 -0.03 0.00 -0.30 0.00 0.00 42.92 41.24 2daf s ASP 105 CO -0.11 -0.40 -0.06 0.68 -0.17 0.00 0.00 175.17 175.11 2daf s VAL 106 N -2.21 0.45 0.29 1.11 -7.23 -1.26 -5.10 120.40 106.45 2daf s VAL 106 Ca 0.44 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 2daf s VAL 106 Cb -0.08 -1.09 -0.02 0.00 0.56 0.00 0.00 36.38 35.74 2daf s VAL 106 CO 0.30 -0.69 0.32 -0.55 -0.31 0.00 0.00 175.10 174.16 2daf s SER 107 N -2.32 0.88 0.22 4.85 0.15 -1.26 -5.07 113.70 111.15 2daf s SER 107 Ca -0.00 -1.50 -0.00 0.00 0.70 0.00 0.00 55.95 55.14 2daf s SER 107 Cb -0.01 0.55 -0.04 0.00 -1.71 0.00 0.00 66.02 64.80 2daf s SER 107 CO -0.04 -1.08 0.12 0.00 1.20 0.00 0.00 173.24 173.44 2daf s GLN 108 N -3.57 1.27 -0.16 5.44 -2.07 -1.26 -5.18 119.66 114.13 2daf s GLN 108 Ca 0.35 -1.67 -0.34 0.00 -1.82 0.00 0.00 55.36 51.88 2daf s GLN 108 Cb 0.02 0.10 0.13 0.00 -1.09 0.00 0.00 33.01 32.18 2daf s GLN 108 CO 0.20 -0.36 1.17 -1.50 -1.32 0.00 0.00 175.29 173.47 2daf s ILE 109 N -4.03 0.00 -0.07 3.63 2.07 -1.26 -5.19 121.20 116.35 2daf s ILE 109 Ca 0.39 -0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.32 2daf s ILE 109 Cb 0.07 -1.01 0.07 0.00 0.13 0.00 0.00 42.46 41.73 2daf s ILE 109 CO 0.13 0.00 0.70 -0.51 -1.91 0.00 0.00 174.94 173.34 2daf s ILE 110 N -2.51 0.00 -0.03 2.00 2.07 -1.26 -5.18 121.20 116.29 2daf s ILE 110 Ca 0.09 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.21 2daf s ILE 110 Cb -0.01 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.60 2daf s ILE 110 CO -0.05 0.00 0.26 -0.89 -1.91 0.00 0.00 174.94 172.35 2daf s THR 111 N -1.06 0.05 -0.13 4.00 2.01 -1.26 -5.15 115.64 114.10 2daf s THR 111 Ca -0.10 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 2daf s THR 111 Cb -0.00 -0.52 -0.05 0.00 0.01 0.00 0.00 72.50 71.94 2daf s THR 111 CO 0.09 -0.23 0.24 -0.69 -0.69 0.00 0.00 174.62 173.34 2daf s VAL 112 N -1.01 5.33 0.68 3.82 1.01 -1.26 -5.10 120.40 123.88 2daf s VAL 112 Ca -0.11 0.45 -0.04 0.00 0.00 0.00 0.00 61.98 62.28 2daf s VAL 112 Cb -0.05 -3.56 0.08 0.00 0.00 0.00 0.00 36.38 32.85 2daf s VAL 112 CO 0.03 0.49 0.97 -0.55 0.00 0.00 0.00 175.10 176.04 2daf s SER 113 N -0.22 4.73 0.35 3.32 0.15 -1.26 -5.06 113.70 115.70 2daf s SER 113 Ca 0.16 0.15 -0.25 0.00 0.70 0.00 0.00 55.95 56.71 2daf s SER 113 Cb -0.13 -0.77 -0.10 0.00 -1.71 0.00 0.00 66.02 63.31 2daf s SER 113 CO 0.05 -1.60 0.96 -0.83 1.20 0.00 0.00 173.24 173.01 2daf s GLY 114 N -4.56 2.73 0.71 9.45 0.00 -1.26 -5.06 107.32 109.33 2daf s GLY 114 Ca 0.62 0.52 -0.12 0.00 0.00 0.00 0.00 44.72 45.74 2daf s GLY 114 CO 0.43 0.94 0.63 -1.55 0.00 0.00 0.00 173.10 173.55 2daf n PRO 115 N 0.30 -2.27 -0.45 2.90 -0.04 -1.26 -5.04 135.00 129.16 2daf n PRO 115 Ca 0.03 -1.01 -0.26 0.00 -0.04 0.00 0.00 63.50 62.23 2daf n PRO 115 Cb 0.51 -0.95 0.23 0.00 -0.04 0.00 0.00 33.50 33.25 2daf n PRO 115 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2daf n SER 116 N -4.09 -3.13 -0.07 3.54 2.88 -1.26 -5.02 113.62 106.47 2daf n SER 116 Ca 0.09 -0.86 -0.07 0.00 -1.33 0.00 0.00 58.87 56.70 2daf n SER 116 Cb 0.34 -0.84 -0.03 0.00 -0.75 0.00 0.00 64.21 62.93 2daf n SER 116 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2daf n SER 117 N -5.09 1.82 -0.08 -3.46 7.64 -1.26 -5.31 113.62 107.86 2daf n SER 117 Ca 0.12 0.61 0.16 0.00 1.01 0.00 0.00 58.87 60.77 2daf n SER 117 Cb 0.50 -0.88 0.88 0.00 -1.01 0.00 0.00 64.21 63.70 2daf n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64