#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2daf n SER 2 N 0.00 -0.91 -4.53 1.61 3.41 -1.26 -4.87 113.62 107.08 2daf n SER 2 Ca 0.00 -0.92 -0.25 0.00 -0.26 0.00 0.00 58.87 57.44 2daf n SER 2 Cb 0.00 -1.17 -0.10 0.00 -0.26 0.00 0.00 64.21 62.68 2daf n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2daf s SER 3 N -2.93 3.14 -0.39 4.04 0.01 -1.26 -5.08 113.70 111.23 2daf s SER 3 Ca 0.49 -1.41 0.10 0.00 1.31 0.00 0.00 55.95 56.44 2daf s SER 3 Cb -0.28 -0.15 0.44 0.00 0.21 0.00 0.00 66.02 66.23 2daf s SER 3 CO 0.75 -0.57 1.06 0.61 0.41 0.00 0.00 173.24 175.49 2daf n GLY 4 N -0.85 4.31 3.42 3.44 0.00 -1.26 -5.06 105.19 109.19 2daf n GLY 4 Ca -0.05 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 2daf n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2daf s SER 5 N -3.40 3.51 -0.25 1.61 0.01 -1.26 -5.06 113.70 108.85 2daf s SER 5 Ca 0.40 -0.68 -0.36 0.00 1.31 0.00 0.00 55.95 56.62 2daf s SER 5 Cb 0.42 -0.34 -0.13 0.00 0.21 0.00 0.00 66.02 66.18 2daf s SER 5 CO -0.09 0.18 1.97 -0.24 0.41 0.00 0.00 173.24 175.47 2daf n SER 6 N 0.91 2.60 0.00 2.44 2.88 -1.26 -4.93 113.62 116.27 2daf n SER 6 Ca -0.17 0.77 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 2daf n SER 6 Cb 0.53 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 2daf n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2daf n GLY 7 N 5.22 0.74 3.85 0.46 0.00 -1.26 -4.89 105.19 109.32 2daf n GLY 7 Ca 0.31 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 2daf n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2daf n GLN 8 N 0.00 -4.28 0.00 1.61 7.27 -1.26 -4.87 117.38 115.86 2daf n GLN 8 Ca 0.00 0.52 0.00 0.00 0.07 0.00 0.00 57.00 57.59 2daf n GLN 8 Cb 0.00 -4.97 0.00 0.00 2.41 0.00 0.00 30.24 27.68 2daf n GLN 8 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2daf n GLU 9 N -4.38 0.00 -2.62 3.69 0.00 -1.26 -5.06 120.64 111.01 2daf n GLU 9 Ca -0.24 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.62 2daf n GLU 9 Cb 0.65 -0.92 -0.02 0.00 0.00 0.00 0.00 31.44 31.15 2daf n GLU 9 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2daf s SER 10 N -4.01 6.42 -0.01 4.31 0.01 -1.26 -4.98 113.70 114.18 2daf s SER 10 Ca 0.00 1.16 -0.32 0.00 1.31 0.00 0.00 55.95 58.10 2daf s SER 10 Cb 0.00 -2.34 -0.11 0.00 0.21 0.00 0.00 66.02 63.78 2daf s SER 10 CO 0.00 -0.53 1.91 0.52 0.41 0.00 0.00 173.24 175.55 2daf n VAL 11 N -1.78 0.62 -1.43 3.43 0.31 -1.26 -4.87 118.33 113.36 2daf n VAL 11 Ca 0.03 -0.11 -0.32 0.00 -0.01 0.00 0.00 64.34 63.93 2daf n VAL 11 Cb 0.54 -2.08 0.04 0.00 -0.91 0.00 0.00 33.84 31.43 2daf n VAL 11 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2daf n GLU 12 N 6.82 2.49 -0.07 5.55 0.28 -1.26 -4.33 120.64 130.12 2daf n GLU 12 Ca 0.21 -2.88 -0.10 0.00 -0.16 0.00 0.00 57.16 54.23 2daf n GLU 12 Cb 0.35 -2.13 -0.15 0.00 1.43 0.00 0.00 31.44 30.94 2daf n GLU 12 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2daf n ASP 13 N -0.30 0.52 0.04 -1.84 -0.08 -1.26 -4.43 116.55 109.20 2daf n ASP 13 Ca 0.52 0.15 -0.19 0.00 -1.51 0.00 0.00 54.79 53.76 2daf n ASP 13 Cb 0.51 0.46 -0.14 0.00 2.34 0.00 0.00 41.12 44.29 2daf n ASP 13 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2daf h SER 14 N 0.00 0.40 -2.25 1.67 0.02 -1.94 -3.37 113.55 108.08 2daf h SER 14 Ca -0.45 -0.69 -0.62 0.00 -0.84 0.00 0.00 61.79 59.19 2daf h SER 14 Cb 2.14 -0.13 0.08 0.00 0.14 0.00 0.00 62.40 64.63 2daf h SER 14 CO 0.04 1.60 0.39 0.18 -1.14 0.00 0.00 176.83 177.89 2daf n LEU 15 N -3.44 2.13 -4.48 5.07 4.77 -1.26 -3.34 117.00 116.44 2daf n LEU 15 Ca -0.23 1.14 -0.27 0.00 -0.03 0.00 0.00 56.01 56.62 2daf n LEU 15 Cb 1.05 -1.30 -0.11 0.00 -2.33 0.00 0.00 43.42 40.74 2daf n LEU 15 CO 0.48 -1.01 -0.48 0.00 -1.33 0.00 0.00 177.39 175.05 2daf s ALA 16 N -0.20 2.70 -0.49 -1.18 0.00 0.58 -1.86 121.76 121.31 2daf s ALA 16 Ca 0.70 -1.54 -0.27 0.00 0.00 0.00 0.00 51.96 50.85 2daf s ALA 16 Cb -0.77 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 21.86 2daf s ALA 16 CO 0.52 0.47 1.05 0.99 0.00 0.00 0.00 175.76 178.79 2daf s THR 17 N -1.59 4.29 -0.33 0.00 2.01 0.17 -2.52 115.64 117.68 2daf s THR 17 Ca 0.22 0.93 -0.04 0.00 0.31 0.00 0.00 61.69 63.10 2daf s THR 17 Cb -0.09 -4.56 0.05 0.00 0.01 0.00 0.00 72.50 67.91 2daf s THR 17 CO 0.12 -1.00 0.07 -0.69 -0.69 0.00 0.00 174.62 172.42 2daf s VAL 18 N 4.23 3.45 -0.14 3.82 1.01 -1.24 -2.31 120.40 129.23 2daf s VAL 18 Ca 0.42 -1.27 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 2daf s VAL 18 Cb -0.09 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 2daf s VAL 18 CO 0.28 -0.17 1.08 -0.54 0.00 0.00 0.00 175.10 175.75 2daf s LYS 19 N 1.33 4.34 -0.23 2.72 1.02 -1.20 -3.32 119.74 124.41 2daf s LYS 19 Ca -0.03 1.46 -0.10 0.00 0.02 0.00 0.00 55.97 57.33 2daf s LYS 19 Cb -0.20 -3.59 -0.05 0.00 -0.52 0.00 0.00 37.83 33.47 2daf s LYS 19 CO 0.01 -0.47 0.13 0.08 -0.92 0.00 0.00 175.35 174.18 2daf s VAL 20 N 2.53 5.17 -0.09 3.17 1.01 0.94 -1.47 120.40 131.66 2daf s VAL 20 Ca 0.49 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.61 2daf s VAL 20 Cb -0.19 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 2daf s VAL 20 CO 0.15 0.38 -0.17 -0.69 0.00 0.00 0.00 175.10 174.77 2daf s VAL 21 N 0.90 2.76 -0.13 2.92 1.01 -0.85 -0.22 120.40 126.79 2daf s VAL 21 Ca 0.07 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 2daf s VAL 21 Cb -0.13 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 2daf s VAL 21 CO 0.03 0.56 0.62 -0.76 0.00 0.00 0.00 175.10 175.55 2daf s LEU 22 N -0.10 4.24 -0.04 3.92 1.43 -0.48 -0.46 118.68 127.20 2daf s LEU 22 Ca -0.03 0.97 -0.17 0.00 -1.03 0.00 0.00 54.13 53.87 2daf s LEU 22 Cb -0.14 -2.92 -0.10 0.00 0.03 0.00 0.00 46.19 43.05 2daf s LEU 22 CO 0.04 -0.15 0.70 0.40 0.23 0.00 0.00 176.35 177.57 2daf h ILE 23 N 4.92 0.21 0.00 -0.59 1.08 -1.74 0.94 117.51 122.33 2daf h ILE 23 Ca -0.37 -0.72 -0.08 0.00 -0.39 0.00 0.00 64.86 63.30 2daf h ILE 23 Cb 1.17 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 2daf h ILE 23 CO 0.76 0.05 -0.38 1.55 -0.69 0.00 0.00 178.15 179.45 2daf h PRO 24 N -1.07 0.00 0.00 2.37 0.13 -1.94 -3.33 132.00 128.17 2daf h PRO 24 Ca -0.05 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.89 2daf h PRO 24 Cb 0.44 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.54 2daf h PRO 24 CO 0.08 0.38 -1.38 0.28 -0.23 0.00 0.00 178.00 177.13 2daf n VAL 25 N -3.76 1.50 -0.13 1.56 0.31 -1.25 -5.01 118.33 111.55 2daf n VAL 25 Ca -0.01 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2daf n VAL 25 Cb 0.46 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 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 1.43 0.58 3.83 2.92 0.00 0.32 -4.99 105.19 109.28 2daf n GLY 26 Ca -0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.82 3.53 -0.11 1.61 0.74 -1.26 -4.65 119.66 118.71 2daf s GLN 27 Ca 0.00 1.04 -0.00 0.00 0.05 0.00 0.00 55.36 56.45 2daf s GLN 27 Cb 0.00 -2.07 -0.02 0.00 1.10 0.00 0.00 33.01 32.02 2daf s GLN 27 CO 0.00 -0.62 -0.09 -1.21 -0.55 0.00 0.00 175.29 172.81 2daf s GLU 28 N -4.29 3.22 -0.06 1.67 2.02 -1.26 -1.38 118.70 118.63 2daf s GLU 28 Ca 0.60 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.99 2daf s GLU 28 Cb -0.13 -2.67 0.02 0.00 0.10 0.00 0.00 34.13 31.45 2daf s GLU 28 CO 0.39 0.37 -0.04 0.42 0.02 0.00 0.00 175.26 176.42 2daf s ILE 29 N -0.04 0.57 -0.33 -1.63 1.01 0.70 -4.82 121.20 116.66 2daf s ILE 29 Ca -0.01 -0.10 -0.13 0.00 0.00 0.00 0.00 60.65 60.42 2daf s ILE 29 Cb -0.14 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 2daf s ILE 29 CO 0.03 0.25 0.24 -0.69 0.00 0.00 0.00 174.94 174.77 2daf s VAL 30 N 1.22 5.29 -0.04 2.92 1.01 -1.26 -0.04 120.40 129.49 2daf s VAL 30 Ca -0.06 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.81 2daf s VAL 30 Cb -0.14 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.56 2daf s VAL 30 CO -0.02 0.03 -0.12 -0.51 0.00 0.00 0.00 175.10 174.48 2daf s ILE 31 N 1.74 1.08 -0.26 2.22 1.10 -1.21 -5.02 121.20 120.85 2daf s ILE 31 Ca 0.06 -0.49 -0.29 0.00 -0.51 0.00 0.00 60.65 59.42 2daf s ILE 31 Cb -0.17 -0.96 -0.02 0.00 0.15 0.00 0.00 42.46 41.46 2daf s ILE 31 CO 0.11 0.33 1.64 -2.16 -2.11 0.00 0.00 174.94 172.75 2daf s PRO 32 N 0.33 3.66 0.17 3.50 0.04 -1.26 -3.59 135.00 137.85 2daf s PRO 32 Ca -0.08 1.54 0.08 0.00 0.04 0.00 0.00 61.00 62.58 2daf s PRO 32 Cb -0.12 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.30 2daf s PRO 32 CO 0.02 -1.46 -0.16 0.12 0.04 0.00 0.00 177.00 175.56 2daf s PHE 33 N 5.63 1.70 0.49 0.56 5.36 -1.05 -4.97 117.98 125.70 2daf s PHE 33 Ca 0.73 -0.51 -0.04 0.00 -0.96 0.00 0.00 56.93 56.14 2daf s PHE 33 Cb -0.23 -0.84 -0.02 0.00 -0.34 0.00 0.00 43.02 41.59 2daf s PHE 33 CO 0.31 0.30 0.77 0.15 -1.46 0.00 0.00 175.22 175.28 2daf s LYS 34 N -2.99 3.27 -0.19 10.12 1.02 -1.26 -0.31 119.74 129.39 2daf s LYS 34 Ca 0.16 -0.05 0.16 0.00 0.02 0.00 0.00 55.97 56.25 2daf s LYS 34 Cb -0.04 -2.41 -0.24 0.00 -0.52 0.00 0.00 37.83 34.62 2daf s LYS 34 CO 0.06 -0.32 0.09 1.33 -0.92 0.00 0.00 175.35 175.59 2daf n VAL 35 N -2.27 1.42 -0.15 3.17 0.24 -1.26 -4.27 118.33 115.22 2daf n VAL 35 Ca 0.01 -0.82 -0.06 0.00 -2.04 0.00 0.00 64.34 61.43 2daf n VAL 35 Cb 0.56 -0.63 0.15 0.00 -1.47 0.00 0.00 33.84 32.46 2daf n VAL 35 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2daf n ASP 36 N -2.84 3.50 -4.07 -1.34 8.00 -1.26 -2.05 116.55 116.49 2daf n ASP 36 Ca -0.33 -2.73 -0.22 0.00 0.71 0.00 0.00 54.79 52.23 2daf n ASP 36 Cb 1.13 -0.65 -0.15 0.00 -0.02 0.00 0.00 41.12 41.43 2daf n ASP 36 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2daf s THR 37 N -1.88 1.01 0.64 -3.53 2.01 -1.26 -5.05 115.64 107.57 2daf s THR 37 Ca 0.31 -0.52 -0.18 0.00 0.31 0.00 0.00 61.69 61.61 2daf s THR 37 Cb 0.25 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 2daf s THR 37 CO 0.07 0.29 1.02 2.30 -0.69 0.00 0.00 174.62 177.61 2daf n ILE 38 N 2.95 3.85 0.30 1.82 -5.35 -1.26 -4.17 119.36 117.49 2daf n ILE 38 Ca -0.16 -0.48 0.18 0.00 -0.27 0.00 0.00 62.75 62.03 2daf n ILE 38 Cb 0.55 -1.20 0.90 0.00 -1.74 0.00 0.00 39.64 38.15 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 0.32 0.00 -0.55 7.28 3.38 -1.41 -3.02 115.31 121.31 2daf h LEU 39 Ca -0.49 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.59 2daf h LEU 39 Cb 1.36 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.00 2daf h LEU 39 CO 0.50 0.03 -0.11 0.50 0.09 0.00 0.00 178.44 179.45 2daf h LYS 40 N 0.00 0.02 -0.42 1.13 3.64 -1.84 0.17 116.57 119.27 2daf h LYS 40 Ca -0.00 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2daf h LYS 40 Cb 0.28 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.00 2daf h LYS 40 CO 0.00 0.01 -0.41 1.88 -2.27 0.00 0.00 179.45 178.67 2daf h TYR 41 N 0.02 -1.19 -0.26 1.91 -1.99 -1.89 0.16 116.97 113.74 2daf h TYR 41 Ca 0.27 0.07 -0.03 0.00 2.00 0.00 0.00 58.73 61.04 2daf h TYR 41 Cb 0.41 0.58 -0.01 0.00 2.00 0.00 0.00 36.73 39.71 2daf h TYR 41 CO -0.44 -0.43 0.03 1.25 -0.00 0.00 0.00 178.16 178.58 2daf h LEU 42 N -0.31 0.34 0.00 3.88 5.85 -1.53 -3.14 115.31 120.41 2daf h LEU 42 Ca 0.15 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2daf h LEU 42 Cb 0.58 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2daf h LEU 42 CO -0.58 0.38 0.00 1.17 -0.34 0.00 0.00 178.44 179.07 2daf n LYS 43 N -4.36 0.00 -0.44 1.25 4.81 0.46 -2.40 118.16 117.48 2daf n LYS 43 Ca 0.01 0.55 0.38 0.00 -0.87 0.00 0.00 58.31 58.37 2daf n LYS 43 Cb 0.18 -1.49 0.64 0.00 0.02 0.00 0.00 35.03 34.39 2daf n LYS 43 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2daf n ASP 44 N -2.08 0.22 0.09 3.14 2.03 -0.54 -0.14 116.55 119.26 2daf n ASP 44 Ca 0.00 1.36 -0.15 0.00 0.52 0.00 0.00 54.79 56.52 2daf n ASP 44 Cb 0.00 -0.67 -0.09 0.00 -0.72 0.00 0.00 41.12 39.64 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 -1.41 0.02 -0.67 2.76 -1.42 0.21 115.15 114.64 2daf h HIS 45 Ca 0.85 0.04 -0.24 0.00 -2.20 0.00 0.00 60.37 58.82 2daf h HIS 45 Cb 2.68 0.61 0.00 0.00 1.55 0.00 0.00 27.41 32.25 2daf h HIS 45 CO -0.01 -0.56 -1.00 0.74 -1.30 0.00 0.00 177.93 175.80 2daf h PHE 46 N -0.68 0.62 -0.32 5.26 -1.00 -0.49 -2.80 116.94 117.53 2daf h PHE 46 Ca 0.02 -0.36 0.06 0.00 2.81 0.00 0.00 57.97 60.50 2daf h PHE 46 Cb 0.72 -0.06 -0.05 0.00 3.61 0.00 0.00 35.95 40.16 2daf h PHE 46 CO -0.45 1.19 -0.01 0.77 -1.61 0.00 0.00 178.31 178.20 2daf h SER 47 N 0.21 -0.14 0.29 2.17 0.02 -0.46 0.28 113.55 115.93 2daf h SER 47 Ca -0.09 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2daf h SER 47 Cb 1.65 0.13 0.00 0.00 0.14 0.00 0.00 62.40 64.33 2daf h SER 47 CO 0.17 -0.03 -0.14 1.12 -1.14 0.00 0.00 176.83 176.81 2daf h HIS 48 N 0.09 -0.37 0.09 3.45 2.07 -0.67 0.22 115.15 120.04 2daf h HIS 48 Ca 0.16 -0.01 0.01 0.00 -2.85 0.00 0.00 60.37 57.68 2daf h HIS 48 Cb 0.21 0.12 -0.05 0.00 2.57 0.00 0.00 27.41 30.26 2daf h HIS 48 CO -0.24 -0.02 -0.53 1.25 -3.07 0.00 0.00 177.93 175.32 2daf h LEU 49 N -0.81 -1.61 -2.10 6.12 7.12 -1.35 0.48 115.31 123.15 2daf h LEU 49 Ca -0.04 0.17 0.09 0.00 0.13 0.00 0.00 57.88 58.23 2daf h LEU 49 Cb 0.51 0.60 -0.01 0.00 -0.53 0.00 0.00 40.66 41.23 2daf h LEU 49 CO 0.07 -0.55 0.29 -0.07 -0.13 0.00 0.00 178.44 178.05 2daf h LEU 50 N -0.74 0.00 0.00 2.25 3.38 -0.54 -3.45 115.31 116.21 2daf h LEU 50 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 -0.31 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.83 2daf n GLY 51 N -1.49 0.86 3.18 0.83 0.00 0.16 -4.91 105.19 103.81 2daf n GLY 51 Ca 0.05 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.31 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 1.13 0.27 -0.61 -4.36 0.72 -5.01 121.20 111.34 2daf s ILE 52 Ca 0.00 -1.36 -0.29 0.00 -0.26 0.00 0.00 60.65 58.74 2daf s ILE 52 Cb 0.00 -1.13 -0.09 0.00 1.25 0.00 0.00 42.46 42.49 2daf s ILE 52 CO 0.00 -0.26 1.26 -2.16 0.24 0.00 0.00 174.94 174.02 2daf s PRO 53 N -1.87 4.43 0.65 0.37 0.04 -1.26 -4.06 135.00 133.30 2daf s PRO 53 Ca -0.01 2.06 0.38 0.00 0.04 0.00 0.00 61.00 63.47 2daf s PRO 53 Cb -0.09 -3.15 2.09 0.00 0.04 0.00 0.00 34.50 33.39 2daf s PRO 53 CO 0.02 -0.12 2.17 1.12 0.04 0.00 0.00 177.00 180.23 2daf h HIS 54 N 4.28 0.00 0.42 0.56 2.07 -1.88 -2.70 115.15 117.91 2daf h HIS 54 Ca -0.47 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.05 2daf h HIS 54 Cb 1.22 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.17 2daf h HIS 54 CO 0.59 0.00 -0.47 0.66 -3.07 0.00 0.00 177.93 175.63 2daf h SER 55 N 0.00 -1.32 0.55 3.10 4.64 -2.02 -2.41 113.55 116.09 2daf h SER 55 Ca 0.00 0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 2daf h SER 55 Cb 0.24 0.44 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 2daf h SER 55 CO 0.00 -0.62 -0.38 -0.37 -0.87 0.00 0.00 176.83 174.59 2daf h VAL 56 N -0.92 1.10 -3.74 0.95 -1.51 -1.88 -3.44 116.25 106.81 2daf h VAL 56 Ca -0.04 -1.39 -0.49 0.00 -1.23 0.00 0.00 66.70 63.54 2daf h VAL 56 Cb 0.82 1.79 -0.02 0.00 -2.13 0.00 0.00 31.29 31.75 2daf h VAL 56 CO -0.09 0.37 0.28 -0.22 -1.23 0.00 0.00 177.57 176.68 2daf s LEU 57 N -7.65 4.45 0.24 4.19 2.96 -0.91 -0.50 118.68 121.46 2daf s LEU 57 Ca -0.02 1.75 -0.03 0.00 -0.22 0.00 0.00 54.13 55.61 2daf s LEU 57 Cb 0.13 -3.73 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 2daf s LEU 57 CO 0.70 0.05 0.26 -1.10 -1.32 0.00 0.00 176.35 174.94 2daf s GLN 58 N -1.70 1.40 -0.03 1.98 -0.21 0.39 -4.82 119.66 116.67 2daf s GLN 58 Ca 0.44 -1.59 0.03 0.00 0.02 0.00 0.00 55.36 54.26 2daf s GLN 58 Cb -0.21 0.34 0.00 0.00 1.00 0.00 0.00 33.01 34.15 2daf s GLN 58 CO 0.25 -0.51 -0.11 0.42 -2.12 0.00 0.00 175.29 173.22 2daf s ILE 59 N -3.96 0.94 -0.07 1.08 1.01 -1.26 -2.53 121.20 116.41 2daf s ILE 59 Ca 0.34 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.59 2daf s ILE 59 Cb 0.04 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 2daf s ILE 59 CO 0.14 0.29 -0.15 -0.60 0.00 0.00 0.00 174.94 174.61 2daf s ARG 60 N 0.25 2.72 -0.09 2.79 3.52 -0.11 -1.28 118.95 126.74 2daf s ARG 60 Ca -0.05 -0.72 -0.04 0.00 -0.13 0.00 0.00 55.73 54.80 2daf s ARG 60 Cb -0.10 -2.41 0.05 0.00 -1.56 0.00 0.00 34.95 30.92 2daf s ARG 60 CO 0.01 0.50 0.19 -0.47 -0.81 0.00 0.00 175.30 174.72 2daf s TYR 61 N -0.41 -0.25 -1.54 5.12 5.04 -0.17 -0.58 117.35 124.56 2daf s TYR 61 Ca 0.04 0.67 0.00 0.00 -2.44 0.00 0.00 57.07 55.35 2daf s TYR 61 Cb -0.12 -0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.08 2daf s TYR 61 CO 0.02 -0.25 0.00 0.45 -1.34 0.00 0.00 175.55 174.43 2daf n SER 62 N 4.77 -4.92 0.00 4.32 2.88 -1.26 -1.47 113.62 117.93 2daf n SER 62 Ca -0.16 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2daf n SER 62 Cb 0.51 -3.97 0.00 0.00 -0.75 0.00 0.00 64.21 60.00 2daf n SER 62 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2daf n GLY 63 N -0.99 2.17 3.95 0.46 0.00 -1.26 -5.02 105.19 104.50 2daf n GLY 63 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.26 3.31 -0.52 1.61 -2.85 -0.54 -5.06 119.74 115.43 2daf s LYS 64 Ca 0.00 -0.41 -0.14 0.00 -1.00 0.00 0.00 55.97 54.43 2daf s LYS 64 Cb 0.00 -2.62 0.13 0.00 -2.06 0.00 0.00 37.83 33.28 2daf s LYS 64 CO 0.00 -0.02 0.45 0.42 0.10 0.00 0.00 175.35 176.30 2daf s ILE 65 N -2.41 4.90 0.87 3.79 -1.09 -1.26 -1.00 121.20 125.00 2daf s ILE 65 Ca 0.44 -1.60 -0.11 0.00 -2.23 0.00 0.00 60.65 57.14 2daf s ILE 65 Cb -0.10 -4.17 0.11 0.00 -1.58 0.00 0.00 42.46 36.73 2daf s ILE 65 CO 0.37 -0.84 1.09 -0.76 -1.23 0.00 0.00 174.94 173.57 2daf s LEU 66 N 1.51 2.47 0.26 2.97 1.43 -0.40 -5.01 118.68 121.91 2daf s LEU 66 Ca 0.04 1.62 0.04 0.00 -1.03 0.00 0.00 54.13 54.80 2daf s LEU 66 Cb -0.29 -4.10 -0.05 0.00 0.03 0.00 0.00 46.19 41.77 2daf s LEU 66 CO 0.02 -2.53 0.00 -0.54 0.23 0.00 0.00 176.35 173.53 2daf s LYS 67 N -4.90 1.43 0.03 1.70 1.02 -1.26 -4.40 119.74 113.36 2daf s LYS 67 Ca 0.63 -1.74 -0.19 0.00 0.02 0.00 0.00 55.97 54.69 2daf s LYS 67 Cb -0.18 -0.74 -0.10 0.00 -0.52 0.00 0.00 37.83 36.29 2daf s LYS 67 CO 0.57 -0.10 1.28 -2.95 -0.92 0.00 0.00 175.35 173.23 2daf h ASN 68 N 2.37 -0.57 -1.01 2.83 -1.07 -1.98 -2.91 115.58 113.24 2daf h ASN 68 Ca -0.39 0.02 0.31 0.00 0.07 0.00 0.00 56.30 56.31 2daf h ASN 68 Cb 1.23 0.15 -0.14 0.00 -2.07 0.00 0.00 38.32 37.48 2daf h ASN 68 CO 0.66 -0.41 0.58 -1.13 0.07 0.00 0.00 177.43 177.20 2daf h ASN 69 N -0.67 0.54 -3.66 6.14 -1.24 -1.98 -3.06 115.58 111.66 2daf h ASN 69 Ca -0.07 0.18 -0.52 0.00 0.71 0.00 0.00 56.30 56.60 2daf h ASN 69 Cb 0.52 0.12 0.21 0.00 0.73 0.00 0.00 38.32 39.89 2daf h ASN 69 CO 0.11 -0.09 -0.30 -0.62 -1.29 0.00 0.00 177.43 175.23 2daf n GLU 70 N -5.02 -0.48 -4.18 6.67 1.02 -1.10 -4.81 120.64 112.75 2daf n GLU 70 Ca 0.31 -0.09 -0.19 0.00 -0.02 0.00 0.00 57.16 57.17 2daf n GLU 70 Cb 0.95 -2.04 -0.12 0.00 -0.02 0.00 0.00 31.44 30.21 2daf n GLU 70 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2daf s THR 71 N -2.47 1.17 0.11 2.62 2.01 -1.26 -2.82 115.64 114.99 2daf s THR 71 Ca 0.61 -1.34 -0.29 0.00 0.31 0.00 0.00 61.69 60.98 2daf s THR 71 Cb -0.22 -1.12 -0.09 0.00 0.01 0.00 0.00 72.50 71.08 2daf s THR 71 CO 0.64 -0.21 1.61 -0.07 -0.69 0.00 0.00 174.62 175.90 2daf h LEU 72 N 4.26 -0.97 -0.72 4.42 -0.00 -1.72 -2.31 115.31 118.28 2daf h LEU 72 Ca -0.41 0.11 0.16 0.00 -0.00 0.00 0.00 57.88 57.73 2daf h LEU 72 Cb 1.19 0.36 -0.11 0.00 -0.00 0.00 0.00 40.66 42.10 2daf h LEU 72 CO 0.40 -0.43 0.13 -0.37 -0.00 0.00 0.00 178.44 178.17 2daf h VAL 73 N -0.58 0.49 -0.98 1.22 -1.51 -1.61 0.36 116.25 113.64 2daf h VAL 73 Ca 0.02 -0.08 0.28 0.00 -1.23 0.00 0.00 66.70 65.69 2daf h VAL 73 Cb 0.60 0.25 -0.05 0.00 -2.13 0.00 0.00 31.29 29.96 2daf h VAL 73 CO -0.18 0.04 0.69 1.56 -1.23 0.00 0.00 177.57 178.45 2daf h GLN 74 N 0.22 0.07 0.00 5.19 1.08 -1.71 0.46 115.11 120.42 2daf h GLN 74 Ca 0.40 -0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.38 2daf h GLN 74 Cb 0.68 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.06 2daf h GLN 74 CO -0.53 0.05 -1.23 0.45 -0.95 0.00 0.00 178.83 176.62 2daf h HIS 75 N 0.07 0.00 0.00 2.96 3.86 -0.19 -3.49 115.15 118.37 2daf h HIS 75 Ca 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.69 2daf h HIS 75 Cb 1.78 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.25 2daf h HIS 75 CO -0.00 0.87 0.00 0.41 0.86 0.00 0.00 177.93 180.07 2daf n GLY 76 N 1.41 0.56 3.09 2.45 0.00 0.16 -5.13 105.19 107.73 2daf n GLY 76 Ca -0.07 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.36 1.85 0.42 1.61 1.01 -1.22 -4.98 120.40 118.74 2daf s VAL 77 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 2daf s VAL 77 Cb 0.00 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 34.64 2daf s VAL 77 CO 0.00 0.51 0.78 -0.54 0.00 0.00 0.00 175.10 175.85 2daf s LYS 78 N 1.20 3.74 0.37 2.72 1.02 -1.26 -4.38 119.74 123.15 2daf s LYS 78 Ca 0.01 0.44 -0.27 0.00 0.02 0.00 0.00 55.97 56.17 2daf s LYS 78 Cb -0.14 -2.38 -0.09 0.00 -0.52 0.00 0.00 37.83 34.70 2daf s LYS 78 CO -0.08 -0.08 1.20 -1.25 -0.92 0.00 0.00 175.35 174.22 2daf s PRO 79 N -4.02 4.19 -1.20 -1.68 0.04 -1.26 -3.35 135.00 127.72 2daf s PRO 79 Ca 0.51 1.95 -0.08 0.00 0.04 0.00 0.00 61.00 63.41 2daf s PRO 79 Cb -0.10 -2.84 0.01 0.00 0.04 0.00 0.00 34.50 31.61 2daf s PRO 79 CO 0.34 -0.23 1.05 1.04 0.04 0.00 0.00 177.00 179.23 2daf n GLN 80 N 0.39 -7.05 -4.45 4.56 6.02 -0.78 -4.91 117.38 111.16 2daf n GLN 80 Ca 0.03 0.73 -0.25 0.00 -0.01 0.00 0.00 57.00 57.50 2daf n GLN 80 Cb 0.45 -5.49 -0.10 0.00 1.02 0.00 0.00 30.24 26.12 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 -6.16 1.91 -0.26 -1.09 -1.05 -1.21 -4.81 118.70 106.03 2daf s GLU 81 Ca 0.52 -1.82 -0.07 0.00 -0.15 0.00 0.00 54.97 53.45 2daf s GLU 81 Cb -0.23 -1.81 -0.02 0.00 -0.44 0.00 0.00 34.13 31.63 2daf s GLU 81 CO 0.64 0.18 0.06 0.42 0.95 0.00 0.00 175.26 177.51 2daf s ILE 82 N -2.55 4.08 0.27 1.83 1.01 -1.26 -0.65 121.20 123.93 2daf s ILE 82 Ca 0.33 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.64 2daf s ILE 82 Cb 0.00 -2.95 -0.00 0.00 0.01 0.00 0.00 42.46 39.52 2daf s ILE 82 CO 0.17 0.29 0.03 1.33 0.00 0.00 0.00 174.94 176.76 2daf n VAL 83 N 4.89 0.00 -3.69 2.92 0.24 -0.98 -5.05 118.33 116.66 2daf n VAL 83 Ca -0.16 -1.38 -0.17 0.00 -2.04 0.00 0.00 64.34 60.58 2daf n VAL 83 Cb 0.50 0.36 -0.16 0.00 -1.47 0.00 0.00 33.84 33.07 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 -3.00 0.00 0.35 7.34 0.74 -1.26 -3.21 119.66 120.62 2daf s GLN 84 Ca 0.05 0.45 0.04 0.00 0.05 0.00 0.00 55.36 55.94 2daf s GLN 84 Cb 0.00 -0.33 -0.05 0.00 1.10 0.00 0.00 33.01 33.73 2daf s GLN 84 CO 0.03 -0.28 0.07 0.14 -0.55 0.00 0.00 175.29 174.70 2daf s VAL 85 N 1.99 1.07 0.08 1.34 -7.23 -0.54 -4.56 120.40 112.55 2daf s VAL 85 Ca 0.01 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.21 2daf s VAL 85 Cb -0.12 -2.69 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 2daf s VAL 85 CO -0.05 0.00 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.03 2daf s GLU 86 N -3.86 0.77 -0.02 4.82 8.01 0.25 -2.00 118.70 126.67 2daf s GLU 86 Ca 0.33 -1.03 0.04 0.00 0.01 0.00 0.00 54.97 54.31 2daf s GLU 86 Cb 0.07 -0.53 -0.00 0.00 -4.31 0.00 0.00 34.13 29.36 2daf s GLU 86 CO 0.15 0.09 -0.13 0.42 0.01 0.00 0.00 175.26 175.81 2daf s ILE 87 N -2.00 1.04 0.18 -1.63 1.01 0.39 -0.94 121.20 119.27 2daf s ILE 87 Ca 0.01 -0.53 -0.24 0.00 0.00 0.00 0.00 60.65 59.89 2daf s ILE 87 Cb -0.06 -0.89 0.05 0.00 0.01 0.00 0.00 42.46 41.57 2daf s ILE 87 CO 0.00 0.30 0.81 0.72 0.00 0.00 0.00 174.94 176.78 2daf s PHE 88 N -0.05 -0.23 -0.01 3.97 -0.12 -1.05 -1.93 117.98 118.56 2daf s PHE 88 Ca 0.00 -0.10 0.05 0.00 -0.05 0.00 0.00 56.93 56.83 2daf s PHE 88 Cb -0.08 0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 42.93 2daf s PHE 88 CO 0.00 -0.96 -0.15 0.45 -0.05 0.00 0.00 175.22 174.52 2daf s SER 89 N -2.86 3.97 0.34 1.98 0.15 -1.26 -0.46 113.70 115.57 2daf s SER 89 Ca 0.09 -0.28 0.09 0.00 0.70 0.00 0.00 55.95 56.56 2daf s SER 89 Cb -0.03 -0.77 0.63 0.00 -1.71 0.00 0.00 66.02 64.14 2daf s SER 89 CO 0.01 0.31 1.80 0.71 1.20 0.00 0.00 173.24 177.26 2daf h THR 90 N 4.14 1.26 -2.78 6.45 1.35 -1.14 -3.36 112.91 118.84 2daf h THR 90 Ca -0.47 -1.25 -0.60 0.00 -0.55 0.00 0.00 66.41 63.54 2daf h THR 90 Cb 1.15 1.56 -0.40 0.00 -1.73 0.00 0.00 68.15 68.74 2daf h THR 90 CO 0.50 0.37 -0.79 0.21 -0.25 0.00 0.00 175.52 175.56 2daf s ASN 91 N -6.90 3.15 0.06 5.36 2.47 -1.26 -4.95 114.94 112.87 2daf s ASN 91 Ca -0.04 -2.92 0.16 0.00 0.42 0.00 0.00 52.86 50.48 2daf s ASN 91 Cb 0.14 -0.89 0.69 0.00 -1.45 0.00 0.00 41.25 39.74 2daf s ASN 91 CO 0.75 -0.21 1.51 -0.81 -3.72 0.00 0.00 177.10 174.62 2daf n PRO 92 N 3.12 0.04 0.10 0.43 -0.04 -1.26 -2.09 135.00 135.30 2daf n PRO 92 Ca 0.17 0.29 -0.05 0.00 -0.04 0.00 0.00 63.50 63.87 2daf n PRO 92 Cb 0.39 -1.58 0.06 0.00 -0.04 0.00 0.00 33.50 32.32 2daf n PRO 92 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2daf h ASP 93 N 0.00 0.14 0.00 3.54 1.82 -1.95 -3.03 116.42 116.93 2daf h ASP 93 Ca 0.00 -0.10 -0.33 0.00 -0.39 0.00 0.00 57.03 56.21 2daf h ASP 93 Cb 0.27 -0.04 -0.05 0.00 0.68 0.00 0.00 39.33 40.19 2daf h ASP 93 CO 0.00 0.85 -1.93 0.18 -1.61 0.00 0.00 179.24 176.72 2daf n LEU 94 N -3.70 1.92 -3.74 2.28 4.77 -1.05 -4.80 117.00 112.68 2daf n LEU 94 Ca -0.02 0.38 -0.28 0.00 -0.03 0.00 0.00 56.01 56.06 2daf n LEU 94 Cb 0.73 -0.85 -0.12 0.00 -2.33 0.00 0.00 43.42 40.86 2daf n LEU 94 CO 0.45 0.34 -0.14 -0.31 -1.33 0.00 0.00 177.39 176.40 2daf s TYR 95 N -2.51 2.70 0.63 -1.77 1.51 -0.89 -5.11 117.35 111.91 2daf s TYR 95 Ca -0.34 -2.96 -0.16 0.00 -1.01 0.00 0.00 57.07 52.60 2daf s TYR 95 Cb 0.11 -2.12 -0.01 0.00 -0.11 0.00 0.00 41.96 39.83 2daf s TYR 95 CO 0.49 -0.65 1.11 -1.25 -1.11 0.00 0.00 175.55 174.14 2daf s PRO 96 N -0.82 2.93 -0.03 -1.71 0.04 -1.15 -4.48 135.00 129.77 2daf s PRO 96 Ca 0.26 1.44 -0.10 0.00 0.04 0.00 0.00 61.00 62.64 2daf s PRO 96 Cb -0.04 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 2daf s PRO 96 CO -0.16 -1.15 0.28 0.08 0.04 0.00 0.00 177.00 176.09 2daf s VAL 97 N -2.21 5.26 0.27 -0.36 1.01 -1.26 -4.96 120.40 118.15 2daf s VAL 97 Ca 0.68 0.45 0.02 0.00 0.00 0.00 0.00 61.98 63.14 2daf s VAL 97 Cb -0.21 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2daf s VAL 97 CO 0.38 0.53 0.08 0.00 0.00 0.00 0.00 175.10 176.09 2daf s ARG 98 N -1.26 1.47 0.94 2.72 1.70 -1.26 -4.81 118.95 118.45 2daf s ARG 98 Ca 0.22 -1.80 -0.11 0.00 -0.47 0.00 0.00 55.73 53.57 2daf s ARG 98 Cb -0.14 -0.47 0.16 0.00 -0.57 0.00 0.00 34.95 33.92 2daf s ARG 98 CO 0.11 -0.24 1.09 -0.98 -1.08 0.00 0.00 175.30 174.20 2daf s ARG 99 N -3.98 0.87 -0.37 3.89 3.03 -1.26 -4.97 118.95 116.16 2daf s ARG 99 Ca 0.37 1.04 -0.18 0.00 2.03 0.00 0.00 55.73 58.98 2daf s ARG 99 Cb 0.08 -1.75 0.00 0.00 -1.03 0.00 0.00 34.95 32.26 2daf s ARG 99 CO 0.14 -2.57 0.50 0.42 -1.13 0.00 0.00 175.30 172.66 2daf s ILE 100 N -2.77 5.02 1.00 4.99 -1.09 -1.26 -4.97 121.20 122.12 2daf s ILE 100 Ca 0.65 0.17 -0.17 0.00 -2.23 0.00 0.00 60.65 59.06 2daf s ILE 100 Cb -0.20 -3.99 -0.14 0.00 -1.58 0.00 0.00 42.46 36.55 2daf s ILE 100 CO 0.59 -0.28 -0.75 -0.67 -1.23 0.00 0.00 174.94 172.59 2daf n ASP 101 N 5.74 -5.48 0.00 3.58 -0.08 -1.26 -4.84 116.55 114.21 2daf n ASP 101 Ca -0.05 0.18 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 2daf n ASP 101 Cb 0.49 -0.78 0.00 0.00 2.34 0.00 0.00 41.12 43.16 2daf n ASP 101 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2daf n GLY 102 N 3.32 2.29 3.69 0.27 0.00 -1.26 -4.98 105.19 108.52 2daf n GLY 102 Ca -0.01 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 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 4.24 0.72 0.99 2.96 -1.26 -5.07 118.68 121.26 2daf s LEU 103 Ca 0.00 1.04 -0.03 0.00 -0.22 0.00 0.00 54.13 54.92 2daf s LEU 103 Cb 0.00 -3.00 0.11 0.00 0.50 0.00 0.00 46.19 43.80 2daf s LEU 103 CO 0.00 -0.19 1.00 0.42 -1.32 0.00 0.00 176.35 176.26 2daf s THR 104 N 1.30 2.23 -0.16 3.68 -4.23 -1.26 -5.06 115.64 112.14 2daf s THR 104 Ca 0.34 -0.49 -0.08 0.00 -1.18 0.00 0.00 61.69 60.27 2daf s THR 104 Cb -0.17 -2.74 -0.07 0.00 1.34 0.00 0.00 72.50 70.87 2daf s THR 104 CO 0.14 0.00 -0.21 -0.67 -0.54 0.00 0.00 174.62 173.34 2daf n ASP 105 N -2.87 1.17 -4.02 3.99 2.03 -1.26 -5.02 116.55 110.57 2daf n ASP 105 Ca 0.13 0.20 -0.23 0.00 0.52 0.00 0.00 54.79 55.41 2daf n ASP 105 Cb 0.60 -0.49 -0.16 0.00 -0.72 0.00 0.00 41.12 40.35 2daf n ASP 105 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2daf s VAL 106 N -2.31 1.00 -0.03 5.18 1.01 -1.26 -5.13 120.40 118.86 2daf s VAL 106 Ca -0.23 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 2daf s VAL 106 Cb 0.09 -0.90 0.11 0.00 0.00 0.00 0.00 36.38 35.68 2daf s VAL 106 CO 0.29 0.31 1.17 -0.55 0.00 0.00 0.00 175.10 176.32 2daf s SER 107 N 0.39 -0.13 -0.18 3.32 0.15 -1.26 -4.86 113.70 111.13 2daf s SER 107 Ca -0.08 -0.14 -0.28 0.00 0.70 0.00 0.00 55.95 56.16 2daf s SER 107 Cb -0.12 0.24 0.08 0.00 -1.71 0.00 0.00 66.02 64.50 2daf s SER 107 CO 0.02 -0.42 0.74 -1.58 1.20 0.00 0.00 173.24 173.20 2daf s GLN 108 N -2.64 0.89 -0.07 5.44 0.74 -1.26 -5.07 119.66 117.69 2daf s GLN 108 Ca 0.12 0.64 -0.07 0.00 0.05 0.00 0.00 55.36 56.10 2daf s GLN 108 Cb 0.02 0.43 0.02 0.00 1.10 0.00 0.00 33.01 34.57 2daf s GLN 108 CO -0.03 -0.19 0.19 -1.50 -0.55 0.00 0.00 175.29 173.21 2daf s ILE 109 N -0.31 0.00 0.05 -2.34 1.10 -1.26 -4.69 121.20 113.74 2daf s ILE 109 Ca -0.04 -0.02 0.01 0.00 -0.51 0.00 0.00 60.65 60.08 2daf s ILE 109 Cb -0.03 -0.28 -0.03 0.00 0.15 0.00 0.00 42.46 42.27 2daf s ILE 109 CO 0.04 -0.01 -0.05 -0.51 -2.11 0.00 0.00 174.94 172.30 2daf s ILE 110 N 0.05 0.37 -0.03 2.00 2.07 -1.26 -5.11 121.20 119.30 2daf s ILE 110 Ca -0.01 -1.32 -0.30 0.00 -1.41 0.00 0.00 60.65 57.62 2daf s ILE 110 Cb -0.02 -0.86 -0.07 0.00 0.13 0.00 0.00 42.46 41.64 2daf s ILE 110 CO 0.00 -0.62 1.91 -0.89 -1.91 0.00 0.00 174.94 173.43 2daf s THR 111 N -2.28 3.18 0.06 4.00 2.01 -1.26 -4.98 115.64 116.36 2daf s THR 111 Ca -0.05 0.21 0.05 0.00 0.31 0.00 0.00 61.69 62.21 2daf s THR 111 Cb -0.04 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 2daf s THR 111 CO -0.03 -0.03 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.03 2daf s VAL 112 N 4.85 1.15 0.99 3.82 1.01 -1.26 -5.13 120.40 125.83 2daf s VAL 112 Ca 0.86 -1.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 2daf s VAL 112 Cb -0.39 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.86 2daf s VAL 112 CO 0.38 -0.11 -0.29 -1.54 0.00 0.00 0.00 175.10 173.54 2daf n SER 113 N 1.54 -3.89 -3.10 3.32 3.41 -1.26 -5.01 113.62 108.62 2daf n SER 113 Ca -0.20 0.21 -0.05 0.00 -0.26 0.00 0.00 58.87 58.57 2daf n SER 113 Cb 0.54 -0.95 0.02 0.00 -0.26 0.00 0.00 64.21 63.57 2daf n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2daf n GLY 114 N 2.54 0.75 3.77 5.00 0.00 -1.26 -5.17 105.19 110.82 2daf n GLY 114 Ca 0.02 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 2daf n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2daf s PRO 115 N -2.07 2.38 0.30 1.61 0.04 -1.26 -5.08 135.00 130.92 2daf s PRO 115 Ca 0.20 1.22 0.03 0.00 0.04 0.00 0.00 61.00 62.49 2daf s PRO 115 Cb -0.04 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2daf s PRO 115 CO 0.08 -1.56 0.07 -1.54 0.04 0.00 0.00 177.00 174.10 2daf s SER 116 N -3.20 1.89 0.84 6.66 1.04 -1.26 -5.17 113.70 114.51 2daf s SER 116 Ca 0.63 -1.38 -0.08 0.00 0.48 0.00 0.00 55.95 55.60 2daf s SER 116 Cb -0.18 0.02 0.17 0.00 0.10 0.00 0.00 66.02 66.12 2daf s SER 116 CO 0.53 -0.66 1.16 -0.94 0.98 0.00 0.00 173.24 174.30 2daf s SER 117 N -3.42 3.71 0.00 7.02 1.04 -1.26 -5.36 113.70 115.43 2daf s SER 117 Ca 0.37 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2daf s SER 117 Cb 0.08 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2daf s SER 117 CO 0.15 -2.31 0.00 0.61 0.98 0.00 0.00 173.24 172.67