#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 -0.14 -1.26 1.61 0.01 -1.26 -5.04 113.70 107.61 2daf s SER 2 Ca 0.00 -0.84 -0.09 0.00 1.31 0.00 0.00 55.95 56.33 2daf s SER 2 Cb 0.00 0.78 -0.11 0.00 0.21 0.00 0.00 66.02 66.90 2daf s SER 2 CO 0.00 -1.49 3.07 -1.54 0.41 0.00 0.00 173.24 173.69 2daf n SER 3 N -0.86 7.99 0.00 2.44 3.41 -1.26 -4.71 113.62 120.64 2daf n SER 3 Ca -0.06 -2.60 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 2daf n SER 3 Cb 0.59 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 2daf n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2daf n GLY 4 N 3.21 4.85 3.82 5.00 0.00 -1.26 -5.20 105.19 115.61 2daf n GLY 4 Ca 0.70 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 1.12 -0.26 -0.06 1.61 0.01 -1.26 -5.12 113.70 109.74 2daf s SER 5 Ca 0.00 -0.54 -0.30 0.00 1.31 0.00 0.00 55.95 56.42 2daf s SER 5 Cb 0.00 0.68 0.11 0.00 0.21 0.00 0.00 66.02 67.02 2daf s SER 5 CO 0.00 -1.25 0.93 -0.55 0.41 0.00 0.00 173.24 172.78 2daf s SER 6 N -2.91 -0.36 0.08 2.44 0.15 -1.26 -5.09 113.70 106.75 2daf s SER 6 Ca 0.11 0.11 -0.09 0.00 0.70 0.00 0.00 55.95 56.78 2daf s SER 6 Cb -0.05 0.35 -0.06 0.00 -1.71 0.00 0.00 66.02 64.56 2daf s SER 6 CO 0.05 -0.53 0.38 -0.83 1.20 0.00 0.00 173.24 173.52 2daf s GLY 7 N -2.11 2.32 0.21 9.45 0.00 -1.26 -5.10 107.32 110.83 2daf s GLY 7 Ca 0.03 -0.42 0.03 0.00 0.00 0.00 0.00 44.72 44.37 2daf s GLY 7 CO -0.06 -0.21 0.00 1.20 0.00 0.00 0.00 173.10 174.03 2daf s GLN 8 N -1.97 1.25 0.12 2.90 -0.21 -1.26 -5.10 119.66 115.39 2daf s GLN 8 Ca 0.33 -1.62 -0.22 0.00 0.02 0.00 0.00 55.36 53.87 2daf s GLN 8 Cb -0.14 -0.46 -0.13 0.00 1.00 0.00 0.00 33.01 33.29 2daf s GLN 8 CO 0.18 -0.12 0.46 0.39 -2.12 0.00 0.00 175.29 174.09 2daf n GLU 9 N -0.35 0.00 -2.33 2.91 4.71 -1.26 -4.73 120.64 119.59 2daf n GLU 9 Ca -0.05 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.70 2daf n GLU 9 Cb 0.64 -0.81 -0.03 0.00 -1.01 0.00 0.00 31.44 30.22 2daf n GLU 9 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2daf s SER 10 N -0.59 5.78 -0.29 1.62 0.01 -1.26 -4.96 113.70 114.02 2daf s SER 10 Ca 0.51 -0.22 -0.02 0.00 1.31 0.00 0.00 55.95 57.53 2daf s SER 10 Cb -0.74 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 62.98 2daf s SER 10 CO 0.41 -2.07 -0.01 -0.69 0.41 0.00 0.00 173.24 171.29 2daf s VAL 11 N 7.21 3.04 -0.63 3.43 1.01 -1.26 -5.02 120.40 128.19 2daf s VAL 11 Ca 0.50 -1.23 0.06 0.00 0.00 0.00 0.00 61.98 61.31 2daf s VAL 11 Cb -0.09 -2.68 0.26 0.00 0.00 0.00 0.00 36.38 33.88 2daf s VAL 11 CO 0.15 -0.01 0.78 -0.62 0.00 0.00 0.00 175.10 175.40 2daf n GLU 12 N 4.66 2.64 0.00 2.72 1.02 -1.26 -4.74 120.64 125.67 2daf n GLU 12 Ca -0.14 -4.70 0.00 0.00 -0.02 0.00 0.00 57.16 52.30 2daf n GLU 12 Cb 0.45 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 2daf n GLU 12 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2daf n ASP 13 N 0.67 1.96 -1.37 1.62 -0.08 -1.26 -4.78 116.55 113.31 2daf n ASP 13 Ca 0.30 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.65 2daf n ASP 13 Cb 0.41 0.00 0.32 0.00 2.34 0.00 0.00 41.12 44.19 2daf n ASP 13 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2daf n SER 14 N -2.39 4.64 -4.67 1.67 2.88 -1.26 -4.41 113.62 110.07 2daf n SER 14 Ca 0.00 -3.03 -0.41 0.00 -1.33 0.00 0.00 58.87 54.11 2daf n SER 14 Cb 0.35 -0.62 -0.05 0.00 -0.75 0.00 0.00 64.21 63.14 2daf n SER 14 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2daf s LEU 15 N -2.84 4.18 -0.08 2.46 1.43 -1.26 -3.29 118.68 119.29 2daf s LEU 15 Ca 0.48 1.04 0.02 0.00 -1.03 0.00 0.00 54.13 54.63 2daf s LEU 15 Cb 0.38 -3.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 2daf s LEU 15 CO 0.12 -0.31 -0.11 0.00 0.23 0.00 0.00 176.35 176.28 2daf s ALA 16 N 1.85 2.77 -0.51 4.21 0.00 -0.66 -2.04 121.76 127.38 2daf s ALA 16 Ca 0.34 -0.92 -0.27 0.00 0.00 0.00 0.00 51.96 51.10 2daf s ALA 16 Cb -0.16 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 2daf s ALA 16 CO 0.12 0.47 1.75 0.99 0.00 0.00 0.00 175.76 179.09 2daf s THR 17 N -0.44 3.49 -0.37 0.00 2.01 0.21 -2.41 115.64 118.13 2daf s THR 17 Ca 0.06 0.40 -0.09 0.00 0.31 0.00 0.00 61.69 62.37 2daf s THR 17 Cb -0.12 -3.94 0.04 0.00 0.01 0.00 0.00 72.50 68.49 2daf s THR 17 CO 0.02 -0.79 0.18 -0.69 -0.69 0.00 0.00 174.62 172.65 2daf s VAL 18 N 7.74 4.23 -0.05 3.82 1.01 -1.23 -1.27 120.40 134.65 2daf s VAL 18 Ca 0.68 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 2daf s VAL 18 Cb -0.15 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 2daf s VAL 18 CO 0.26 -0.26 0.99 -0.54 0.00 0.00 0.00 175.10 175.55 2daf s LYS 19 N 1.48 4.49 -0.13 2.72 1.02 -1.03 -3.44 119.74 124.85 2daf s LYS 19 Ca 0.01 1.41 -0.02 0.00 0.02 0.00 0.00 55.97 57.39 2daf s LYS 19 Cb -0.20 -3.50 -0.02 0.00 -0.52 0.00 0.00 37.83 33.59 2daf s LYS 19 CO 0.05 -0.18 -0.08 0.08 -0.92 0.00 0.00 175.35 174.30 2daf s VAL 20 N 1.49 3.52 -0.06 3.17 1.01 0.48 -1.12 120.40 128.88 2daf s VAL 20 Ca 0.50 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.01 2daf s VAL 20 Cb -0.20 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.69 2daf s VAL 20 CO 0.23 0.52 -0.12 -0.69 0.00 0.00 0.00 175.10 175.04 2daf s VAL 21 N 0.21 1.13 -0.05 2.92 1.01 -0.99 0.43 120.40 125.06 2daf s VAL 21 Ca -0.05 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 2daf s VAL 21 Cb -0.14 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 2daf s VAL 21 CO 0.04 0.35 0.97 -0.76 0.00 0.00 0.00 175.10 175.69 2daf s LEU 22 N 0.57 4.32 -0.03 3.92 1.43 -0.14 -1.57 118.68 127.17 2daf s LEU 22 Ca -0.13 1.57 -0.19 0.00 -1.03 0.00 0.00 54.13 54.35 2daf s LEU 22 Cb -0.15 -3.52 -0.11 0.00 0.03 0.00 0.00 46.19 42.44 2daf s LEU 22 CO 0.03 -0.32 0.80 0.40 0.23 0.00 0.00 176.35 177.49 2daf h ILE 23 N 4.91 0.22 -0.19 -0.59 1.08 -1.67 0.84 117.51 122.11 2daf h ILE 23 Ca -0.37 -0.65 -0.13 0.00 -0.39 0.00 0.00 64.86 63.31 2daf h ILE 23 Cb 1.19 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 2daf h ILE 23 CO 0.79 0.05 -0.44 1.55 -0.69 0.00 0.00 178.15 179.41 2daf h PRO 24 N -1.07 0.46 0.09 2.37 0.13 -1.94 -3.29 132.00 128.75 2daf h PRO 24 Ca -0.05 -0.24 -0.24 0.00 -0.87 0.00 0.00 66.00 64.59 2daf h PRO 24 Cb 0.49 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 2daf h PRO 24 CO 0.09 0.82 -1.23 0.28 -0.23 0.00 0.00 178.00 177.72 2daf h VAL 25 N 0.38 1.11 0.00 1.56 2.07 -1.86 -3.48 116.25 116.03 2daf h VAL 25 Ca 0.03 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.18 2daf h VAL 25 Cb 0.92 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 2daf h VAL 25 CO 0.08 0.64 0.00 0.61 0.02 0.00 0.00 177.57 178.92 2daf n GLY 26 N 1.68 0.83 3.82 2.17 0.00 0.29 -4.99 105.19 108.99 2daf n GLY 26 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.31 3.91 -0.02 1.61 0.74 -1.25 -4.69 119.66 119.65 2daf s GLN 27 Ca 0.00 1.17 -0.00 0.00 0.05 0.00 0.00 55.36 56.58 2daf s GLN 27 Cb 0.00 -2.12 -0.04 0.00 1.10 0.00 0.00 33.01 31.95 2daf s GLN 27 CO 0.00 -0.31 0.06 -1.21 -0.55 0.00 0.00 175.29 173.28 2daf s GLU 28 N -3.51 3.02 0.00 1.67 2.02 -1.26 -0.97 118.70 119.68 2daf s GLU 28 Ca 0.63 -0.48 -0.03 0.00 0.02 0.00 0.00 54.97 55.11 2daf s GLU 28 Cb -0.12 -2.83 -0.01 0.00 0.10 0.00 0.00 34.13 31.27 2daf s GLU 28 CO 0.22 0.65 0.05 0.42 0.02 0.00 0.00 175.26 176.63 2daf s ILE 29 N -1.14 0.07 -0.11 -1.63 1.01 0.17 -5.00 121.20 114.56 2daf s ILE 29 Ca 0.21 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.31 2daf s ILE 29 Cb -0.12 -0.27 0.01 0.00 0.01 0.00 0.00 42.46 42.09 2daf s ILE 29 CO 0.12 -0.31 -0.16 -0.69 0.00 0.00 0.00 174.94 173.89 2daf s VAL 30 N -0.99 1.58 -0.20 2.92 1.01 -1.26 -0.39 120.40 123.07 2daf s VAL 30 Ca -0.11 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 2daf s VAL 30 Cb -0.06 -1.44 0.06 0.00 0.00 0.00 0.00 36.38 34.94 2daf s VAL 30 CO 0.00 0.46 0.49 -0.51 0.00 0.00 0.00 175.10 175.54 2daf s ILE 31 N 0.98 -0.02 0.25 2.22 2.07 -1.22 -4.94 121.20 120.54 2daf s ILE 31 Ca -0.06 0.07 -0.30 0.00 -1.41 0.00 0.00 60.65 58.95 2daf s ILE 31 Cb -0.15 -0.72 -0.09 0.00 0.13 0.00 0.00 42.46 41.63 2daf s ILE 31 CO -0.02 0.03 1.27 -2.16 -1.91 0.00 0.00 174.94 172.15 2daf s PRO 32 N 1.46 4.42 0.05 3.50 0.04 -1.26 -3.54 135.00 139.67 2daf s PRO 32 Ca -0.10 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.03 2daf s PRO 32 Cb -0.07 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 2daf s PRO 32 CO -0.15 -0.15 -0.10 0.12 0.04 0.00 0.00 177.00 176.76 2daf s PHE 33 N -0.43 0.87 0.23 0.56 5.36 -1.01 -4.96 117.98 118.60 2daf s PHE 33 Ca 0.52 -0.47 -0.30 0.00 -0.96 0.00 0.00 56.93 55.72 2daf s PHE 33 Cb -0.36 -0.51 -0.09 0.00 -0.34 0.00 0.00 43.02 41.72 2daf s PHE 33 CO 0.43 -0.03 0.97 0.15 -1.46 0.00 0.00 175.22 175.28 2daf s LYS 34 N -1.59 4.79 0.00 10.12 3.01 -1.26 -1.65 119.74 133.17 2daf s LYS 34 Ca -0.07 1.55 0.27 0.00 -1.01 0.00 0.00 55.97 56.71 2daf s LYS 34 Cb -0.10 -3.28 0.93 0.00 -1.01 0.00 0.00 37.83 34.37 2daf s LYS 34 CO 0.01 0.42 1.68 1.33 0.51 0.00 0.00 175.35 179.29 2daf n VAL 35 N 1.63 0.00 0.08 3.17 0.24 -1.21 -3.52 118.33 118.73 2daf n VAL 35 Ca -0.01 -0.08 0.05 0.00 -2.04 0.00 0.00 64.34 62.26 2daf n VAL 35 Cb 0.47 0.15 0.10 0.00 -1.47 0.00 0.00 33.84 33.09 2daf n VAL 35 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2daf n ASP 36 N -0.91 2.46 -4.38 -1.34 5.75 -1.26 -2.29 116.55 114.57 2daf n ASP 36 Ca 0.12 -1.77 -0.33 0.00 -0.01 0.00 0.00 54.79 52.80 2daf n ASP 36 Cb 0.32 -0.13 -0.14 0.00 -1.03 0.00 0.00 41.12 40.14 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 -0.95 3.21 0.83 2.12 2.01 -1.23 -5.02 115.64 116.62 2daf s THR 37 Ca 0.18 -0.60 -0.17 0.00 0.31 0.00 0.00 61.69 61.41 2daf s THR 37 Cb 0.10 -2.37 -0.13 0.00 0.01 0.00 0.00 72.50 70.11 2daf s THR 37 CO 0.14 0.51 -0.45 2.30 -0.69 0.00 0.00 174.62 176.43 2daf n ILE 38 N 3.65 0.12 0.22 1.82 -5.35 -1.26 -4.57 119.36 113.99 2daf n ILE 38 Ca -0.18 -0.48 0.08 0.00 -0.27 0.00 0.00 62.75 61.90 2daf n ILE 38 Cb 0.52 -0.08 0.48 0.00 -1.74 0.00 0.00 39.64 38.82 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 -0.70 0.00 -0.71 7.28 3.38 -1.27 -3.21 115.31 120.08 2daf h LEU 39 Ca -0.43 0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.65 2daf h LEU 39 Cb 1.35 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.97 2daf h LEU 39 CO 0.30 0.27 -0.37 0.50 0.09 0.00 0.00 178.44 179.23 2daf h LYS 40 N 0.00 -0.12 -0.28 1.13 3.64 -1.85 0.21 116.57 119.30 2daf h LYS 40 Ca -0.00 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2daf h LYS 40 Cb 0.65 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 2daf h LYS 40 CO 0.03 -0.08 -0.16 0.66 -2.27 0.00 0.00 179.45 177.63 2daf n TYR 41 N -5.44 -0.12 -0.22 1.91 4.02 -1.21 0.34 117.16 116.43 2daf n TYR 41 Ca 0.05 0.35 0.04 0.00 -0.01 0.00 0.00 57.90 58.33 2daf n TYR 41 Cb 0.36 -0.49 0.29 0.00 -0.02 0.00 0.00 39.34 39.49 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 0.79 0.37 7.72 5.85 -1.60 -1.69 115.31 126.74 2daf h LEU 42 Ca 0.04 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2daf h LEU 42 Cb 0.11 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2daf h LEU 42 CO -0.26 0.53 -0.39 0.50 -0.34 0.00 0.00 178.44 178.48 2daf h LYS 43 N 0.91 -0.74 -0.77 1.25 3.64 0.19 -2.72 116.57 118.34 2daf h LYS 43 Ca 0.32 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.83 2daf h LYS 43 Cb 0.13 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.06 2daf h LYS 43 CO -0.10 -0.49 0.44 0.22 -2.27 0.00 0.00 179.45 177.24 2daf h ASP 44 N -0.76 0.64 -0.95 4.20 3.58 -0.43 -2.09 116.42 120.60 2daf h ASP 44 Ca -0.05 0.04 0.28 0.00 0.42 0.00 0.00 57.03 57.72 2daf h ASP 44 Cb 0.67 -0.09 -0.18 0.00 1.72 0.00 0.00 39.33 41.45 2daf h ASP 44 CO -0.06 0.39 0.07 1.57 -2.88 0.00 0.00 179.24 178.33 2daf n HIS 45 N -4.75 0.66 -0.04 0.28 -0.00 -0.65 -0.60 115.22 110.11 2daf n HIS 45 Ca 0.11 1.15 -0.01 0.00 0.46 0.00 0.00 57.72 59.43 2daf n HIS 45 Cb 0.23 -1.25 -0.00 0.00 -0.12 0.00 0.00 29.99 28.85 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 -0.63 1.57 -1.00 -1.29 -3.16 116.94 112.44 2daf h PHE 46 Ca 0.60 0.00 0.06 0.00 2.81 0.00 0.00 57.97 61.44 2daf h PHE 46 Cb 1.28 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.77 2daf h PHE 46 CO -0.44 0.00 -0.37 0.43 -1.61 0.00 0.00 178.31 176.32 2daf n SER 47 N -4.03 -0.67 0.02 2.17 7.64 -0.86 0.10 113.62 118.00 2daf n SER 47 Ca -0.01 1.27 -0.11 0.00 1.01 0.00 0.00 58.87 61.03 2daf n SER 47 Cb 0.04 -0.22 -0.04 0.00 -1.01 0.00 0.00 64.21 62.98 2daf n SER 47 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 2daf h HIS 48 N 0.00 -0.78 0.10 1.43 2.07 -0.94 0.17 115.15 117.20 2daf h HIS 48 Ca 0.10 0.03 0.01 0.00 -2.85 0.00 0.00 60.37 57.66 2daf h HIS 48 Cb 0.26 0.36 -0.03 0.00 2.57 0.00 0.00 27.41 30.56 2daf h HIS 48 CO -0.79 -0.37 -0.38 1.25 -3.07 0.00 0.00 177.93 174.57 2daf h LEU 49 N -0.39 -1.15 -1.82 6.12 7.12 -0.47 0.10 115.31 124.82 2daf h LEU 49 Ca 0.09 0.12 0.00 0.00 0.13 0.00 0.00 57.88 58.21 2daf h LEU 49 Cb 0.51 0.42 0.00 0.00 -0.53 0.00 0.00 40.66 41.07 2daf h LEU 49 CO -0.30 -0.41 0.11 -0.07 -0.13 0.00 0.00 178.44 177.64 2daf h LEU 50 N -0.56 0.00 0.00 2.25 3.38 -0.16 -3.45 115.31 116.77 2daf h LEU 50 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2daf h LEU 50 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2daf h LEU 50 CO -0.20 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.94 2daf n GLY 51 N -1.23 2.99 3.81 0.83 0.00 0.54 -4.95 105.19 107.18 2daf n GLY 51 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.02 4.06 0.67 -0.61 -4.36 -0.88 -4.83 121.20 113.23 2daf s ILE 52 Ca 0.00 1.22 -0.14 0.00 -0.26 0.00 0.00 60.65 61.47 2daf s ILE 52 Cb 0.00 -3.52 0.01 0.00 1.25 0.00 0.00 42.46 40.20 2daf s ILE 52 CO 0.00 -0.34 1.11 -2.16 0.24 0.00 0.00 174.94 173.79 2daf s PRO 53 N -3.38 2.74 0.32 0.37 0.04 -1.26 -3.77 135.00 130.05 2daf s PRO 53 Ca 0.64 1.37 0.26 0.00 0.04 0.00 0.00 61.00 63.31 2daf s PRO 53 Cb -0.13 -1.94 0.75 0.00 0.04 0.00 0.00 34.50 33.21 2daf s PRO 53 CO 0.20 -1.29 1.74 1.12 0.04 0.00 0.00 177.00 178.81 2daf h HIS 54 N -0.10 0.00 0.16 0.56 2.07 -1.90 -3.26 115.15 112.69 2daf h HIS 54 Ca -0.46 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.07 2daf h HIS 54 Cb 1.24 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.18 2daf h HIS 54 CO 0.55 0.00 -0.45 1.03 -3.07 0.00 0.00 177.93 175.99 2daf h SER 55 N 0.00 -1.32 -0.18 3.10 0.87 -2.01 -2.96 113.55 111.05 2daf h SER 55 Ca 0.00 0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.62 2daf h SER 55 Cb 0.74 0.49 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2daf h SER 55 CO 0.00 -0.52 -0.20 -0.37 -0.53 0.00 0.00 176.83 175.21 2daf h VAL 56 N -0.71 1.34 -3.85 2.23 -1.51 -1.98 -3.44 116.25 108.32 2daf h VAL 56 Ca 0.01 -1.38 -0.53 0.00 -1.23 0.00 0.00 66.70 63.57 2daf h VAL 56 Cb 0.72 1.81 0.08 0.00 -2.13 0.00 0.00 31.29 31.77 2daf h VAL 56 CO -0.23 0.42 0.69 -0.22 -1.23 0.00 0.00 177.57 176.99 2daf s LEU 57 N -9.04 4.39 0.22 4.19 2.96 -1.12 -1.79 118.68 118.50 2daf s LEU 57 Ca -0.14 2.79 -0.02 0.00 -0.22 0.00 0.00 54.13 56.54 2daf s LEU 57 Cb 0.06 -3.65 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 2daf s LEU 57 CO 0.78 -0.65 0.20 -1.10 -1.32 0.00 0.00 176.35 174.26 2daf s GLN 58 N -1.75 1.31 -0.03 1.98 -1.52 -0.95 -4.81 119.66 113.89 2daf s GLN 58 Ca 0.51 -1.60 0.06 0.00 -1.95 0.00 0.00 55.36 52.38 2daf s GLN 58 Cb -0.42 0.31 -0.01 0.00 -0.22 0.00 0.00 33.01 32.67 2daf s GLN 58 CO 0.55 -0.45 -0.22 0.42 -0.25 0.00 0.00 175.29 175.33 2daf s ILE 59 N -4.07 1.78 -0.06 1.08 1.01 -1.26 -3.52 121.20 116.16 2daf s ILE 59 Ca 0.36 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 60.12 2daf s ILE 59 Cb 0.05 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 2daf s ILE 59 CO 0.13 0.50 -0.20 -0.60 0.00 0.00 0.00 174.94 174.77 2daf s ARG 60 N -0.31 2.62 -0.20 2.79 3.52 -1.03 -3.34 118.95 123.01 2daf s ARG 60 Ca 0.03 -0.81 -0.15 0.00 -0.13 0.00 0.00 55.73 54.67 2daf s ARG 60 Cb -0.11 -2.29 0.06 0.00 -1.56 0.00 0.00 34.95 31.05 2daf s ARG 60 CO 0.01 0.45 0.51 -0.47 -0.81 0.00 0.00 175.30 174.99 2daf s TYR 61 N -0.30 -0.66 -1.93 5.12 5.04 -0.82 -2.67 117.35 121.14 2daf s TYR 61 Ca 0.01 1.47 0.00 0.00 -2.44 0.00 0.00 57.07 56.12 2daf s TYR 61 Cb -0.13 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.47 2daf s TYR 61 CO 0.03 -0.33 0.00 0.43 -1.34 0.00 0.00 175.55 174.33 2daf n SER 62 N 3.48 -5.68 -0.12 4.32 7.64 -1.26 -0.80 113.62 121.20 2daf n SER 62 Ca -0.17 0.20 -0.02 0.00 1.01 0.00 0.00 58.87 59.89 2daf n SER 62 Cb 0.56 -4.84 -0.01 0.00 -1.01 0.00 0.00 64.21 58.92 2daf n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2daf n GLY 63 N -0.76 0.41 3.30 0.23 0.00 -1.26 -4.99 105.19 102.12 2daf n GLY 63 Ca -0.23 -0.10 -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 -1.59 0.00 0.00 0.00 173.32 171.73 2daf s LYS 64 N -1.20 1.20 -0.21 1.61 -2.85 0.02 -5.12 119.74 113.18 2daf s LYS 64 Ca 0.00 -1.18 -0.24 0.00 -1.00 0.00 0.00 55.97 53.55 2daf s LYS 64 Cb 0.00 -1.50 -0.01 0.00 -2.06 0.00 0.00 37.83 34.26 2daf s LYS 64 CO 0.00 0.35 0.78 0.42 0.10 0.00 0.00 175.35 177.01 2daf s ILE 65 N -1.11 4.89 0.53 3.79 -1.09 -1.26 -1.95 121.20 124.99 2daf s ILE 65 Ca 0.08 1.50 -0.02 0.00 -2.23 0.00 0.00 60.65 59.98 2daf s ILE 65 Cb -0.10 -4.08 0.01 0.00 -1.58 0.00 0.00 42.46 36.71 2daf s ILE 65 CO 0.04 -0.00 0.79 -0.76 -1.23 0.00 0.00 174.94 173.78 2daf s LEU 66 N 2.43 3.39 0.46 2.97 1.43 -1.21 -5.02 118.68 123.12 2daf s LEU 66 Ca 0.34 0.40 0.05 0.00 -1.03 0.00 0.00 54.13 53.90 2daf s LEU 66 Cb -0.16 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 2daf s LEU 66 CO 0.10 -0.96 0.08 -0.54 0.23 0.00 0.00 176.35 175.26 2daf s LYS 67 N -4.79 2.12 -0.00 1.70 1.02 -1.26 -4.76 119.74 113.77 2daf s LYS 67 Ca 0.52 -2.15 -0.03 0.00 0.02 0.00 0.00 55.97 54.34 2daf s LYS 67 Cb -0.10 -1.72 -0.01 0.00 -0.52 0.00 0.00 37.83 35.48 2daf s LYS 67 CO 0.41 -0.22 0.54 -0.91 -0.92 0.00 0.00 175.35 174.24 2daf h ASN 68 N 1.46 -0.08 0.00 2.83 2.35 -2.00 -3.16 115.58 116.99 2daf h ASN 68 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 2daf h ASN 68 Cb 1.27 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.66 2daf h ASN 68 CO 0.74 -0.02 0.49 -1.13 -1.65 0.00 0.00 177.43 175.86 2daf h ASN 69 N -0.16 0.00 -3.36 5.81 -1.24 -1.98 -2.88 115.58 111.77 2daf h ASN 69 Ca -0.01 0.00 -0.53 0.00 0.71 0.00 0.00 56.30 56.47 2daf h ASN 69 Cb 0.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.12 2daf h ASN 69 CO 0.02 0.00 0.52 -1.61 -1.29 0.00 0.00 177.43 175.06 2daf s GLU 70 N -3.85 4.50 0.35 6.67 2.02 -1.19 -4.86 118.70 122.34 2daf s GLU 70 Ca -0.02 1.73 0.07 0.00 0.02 0.00 0.00 54.97 56.77 2daf s GLU 70 Cb 0.05 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.95 2daf s GLU 70 CO 0.17 -0.12 0.42 0.99 0.02 0.00 0.00 175.26 176.74 2daf s THR 71 N 0.54 3.69 0.06 3.63 2.01 -1.26 -2.60 115.64 121.71 2daf s THR 71 Ca 0.55 -1.13 -0.19 0.00 0.31 0.00 0.00 61.69 61.23 2daf s THR 71 Cb -0.29 -3.27 -0.12 0.00 0.01 0.00 0.00 72.50 68.83 2daf s THR 71 CO 0.32 -0.13 1.39 -0.07 -0.69 0.00 0.00 174.62 175.43 2daf h LEU 72 N 0.98 0.47 -2.44 4.42 -0.00 -1.81 -2.87 115.31 114.06 2daf h LEU 72 Ca -0.44 -0.45 0.02 0.00 -0.00 0.00 0.00 57.88 57.01 2daf h LEU 72 Cb 1.26 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 41.79 2daf h LEU 72 CO 0.54 0.81 0.11 -0.37 -0.00 0.00 0.00 178.44 179.53 2daf h VAL 73 N 0.12 0.36 -0.04 1.22 -1.51 -1.62 -0.31 116.25 114.46 2daf h VAL 73 Ca 0.04 0.00 -0.19 0.00 -1.23 0.00 0.00 66.70 65.31 2daf h VAL 73 Cb 0.66 0.91 -0.00 0.00 -2.13 0.00 0.00 31.29 30.73 2daf h VAL 73 CO 0.04 0.00 -0.80 1.56 -1.23 0.00 0.00 177.57 177.14 2daf h GLN 74 N 0.00 0.36 -0.00 5.19 1.08 -1.81 -3.04 115.11 116.89 2daf h GLN 74 Ca 0.03 -0.33 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 2daf h GLN 74 Cb 0.25 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 2daf h GLN 74 CO -0.00 0.99 -0.14 0.72 -0.95 0.00 0.00 178.83 179.45 2daf n HIS 75 N -3.79 0.00 0.00 2.96 8.25 -0.18 -4.92 115.22 117.53 2daf n HIS 75 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2daf n HIS 75 Cb 0.75 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.44 2daf n HIS 75 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2daf n GLY 76 N 1.49 0.86 2.99 -1.41 0.00 -0.86 -5.12 105.19 103.15 2daf n GLY 76 Ca 0.07 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 2daf n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2daf s VAL 77 N -1.86 1.02 0.26 1.61 1.01 -1.06 -4.98 120.40 116.40 2daf s VAL 77 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2daf s VAL 77 Cb 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 2daf s VAL 77 CO 0.00 0.33 0.42 -0.54 0.00 0.00 0.00 175.10 175.32 2daf s LYS 78 N 0.79 3.48 0.52 2.72 1.02 -1.26 -4.18 119.74 122.83 2daf s LYS 78 Ca -0.12 -0.50 -0.20 0.00 0.02 0.00 0.00 55.97 55.16 2daf s LYS 78 Cb -0.15 -2.81 -0.06 0.00 -0.52 0.00 0.00 37.83 34.29 2daf s LYS 78 CO 0.02 0.34 1.14 -1.25 -0.92 0.00 0.00 175.35 174.68 2daf s PRO 79 N -3.87 3.47 -1.21 -1.68 0.04 -1.26 -3.61 135.00 126.87 2daf s PRO 79 Ca 0.37 1.65 -0.06 0.00 0.04 0.00 0.00 61.00 63.01 2daf s PRO 79 Cb -0.10 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.34 2daf s PRO 79 CO 0.31 -0.77 1.04 1.04 0.04 0.00 0.00 177.00 178.67 2daf n GLN 80 N -1.08 -6.98 -4.45 4.56 6.02 -0.87 -4.94 117.38 109.64 2daf n GLN 80 Ca 0.10 0.77 -0.23 0.00 -0.01 0.00 0.00 57.00 57.64 2daf n GLN 80 Cb 0.50 -5.63 -0.10 0.00 1.02 0.00 0.00 30.24 26.03 2daf n GLN 80 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2daf s GLU 81 N -5.90 1.60 -0.15 -1.09 -1.05 -1.24 -4.88 118.70 105.99 2daf s GLU 81 Ca 0.37 -1.75 -0.03 0.00 -0.15 0.00 0.00 54.97 53.41 2daf s GLU 81 Cb -0.16 -1.53 -0.02 0.00 -0.44 0.00 0.00 34.13 31.98 2daf s GLU 81 CO 0.67 0.23 -0.07 0.42 0.95 0.00 0.00 175.26 177.47 2daf s ILE 82 N -2.70 3.63 0.34 1.83 1.01 -1.26 0.64 121.20 124.69 2daf s ILE 82 Ca 0.28 -0.45 0.05 0.00 0.00 0.00 0.00 60.65 60.53 2daf s ILE 82 Cb -0.02 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 2daf s ILE 82 CO 0.13 0.50 0.18 1.33 0.00 0.00 0.00 174.94 177.08 2daf n VAL 83 N 3.55 0.00 -3.68 2.92 0.24 -0.40 -5.00 118.33 115.96 2daf n VAL 83 Ca -0.18 -2.18 -0.19 0.00 -2.04 0.00 0.00 64.34 59.76 2daf n VAL 83 Cb 0.52 0.91 -0.17 0.00 -1.47 0.00 0.00 33.84 33.63 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 -3.33 -0.06 0.15 7.34 0.74 -1.26 -2.45 119.66 120.78 2daf s GLN 84 Ca 0.26 0.38 0.07 0.00 0.05 0.00 0.00 55.36 56.12 2daf s GLN 84 Cb 0.01 -0.45 -0.04 0.00 1.10 0.00 0.00 33.01 33.64 2daf s GLN 84 CO 0.18 -0.31 -0.15 0.14 -0.55 0.00 0.00 175.29 174.61 2daf s VAL 85 N 2.04 1.54 0.12 1.34 -7.23 -0.28 -4.77 120.40 113.17 2daf s VAL 85 Ca 0.03 -1.90 0.10 0.00 -1.81 0.00 0.00 61.98 58.40 2daf s VAL 85 Cb -0.12 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 2daf s VAL 85 CO -0.03 -0.45 -0.23 -1.61 -0.31 0.00 0.00 175.10 172.46 2daf s GLU 86 N -2.99 1.57 -0.00 4.82 8.01 -1.09 -2.36 118.70 126.66 2daf s GLU 86 Ca 0.14 -1.27 0.06 0.00 0.01 0.00 0.00 54.97 53.91 2daf s GLU 86 Cb -0.04 -1.99 -0.02 0.00 -4.31 0.00 0.00 34.13 27.77 2daf s GLU 86 CO 0.05 0.46 -0.20 0.42 0.01 0.00 0.00 175.26 176.00 2daf s ILE 87 N -1.09 1.57 0.02 -1.63 1.01 -0.61 -2.45 121.20 118.02 2daf s ILE 87 Ca 0.16 -0.91 -0.27 0.00 0.00 0.00 0.00 60.65 59.63 2daf s ILE 87 Cb -0.10 -1.32 0.09 0.00 0.01 0.00 0.00 42.46 41.14 2daf s ILE 87 CO 0.08 0.40 0.78 0.72 0.00 0.00 0.00 174.94 176.91 2daf s PHE 88 N -0.52 -0.45 -0.19 3.97 -0.12 -1.23 -1.69 117.98 117.74 2daf s PHE 88 Ca 0.08 0.43 -0.09 0.00 -0.05 0.00 0.00 56.93 57.29 2daf s PHE 88 Cb -0.08 0.52 -0.05 0.00 -0.63 0.00 0.00 43.02 42.78 2daf s PHE 88 CO -0.00 -0.63 0.11 0.45 -0.05 0.00 0.00 175.22 175.10 2daf s SER 89 N -2.23 6.01 0.34 1.98 0.15 -1.26 -2.24 113.70 116.46 2daf s SER 89 Ca 0.01 0.18 0.05 0.00 0.70 0.00 0.00 55.95 56.89 2daf s SER 89 Cb -0.01 -2.05 0.71 0.00 -1.71 0.00 0.00 66.02 62.96 2daf s SER 89 CO -0.06 0.18 1.91 0.71 1.20 0.00 0.00 173.24 177.18 2daf h THR 90 N 4.73 0.97 -3.14 6.45 1.35 -1.70 -3.32 112.91 118.25 2daf h THR 90 Ca -0.40 -0.28 -0.62 0.00 -0.55 0.00 0.00 66.41 64.56 2daf h THR 90 Cb 1.16 0.08 -0.40 0.00 -1.73 0.00 0.00 68.15 67.26 2daf h THR 90 CO 0.74 0.15 -0.70 0.54 -0.25 0.00 0.00 175.52 175.99 2daf s ASN 91 N -6.00 3.90 0.44 5.36 4.22 -1.26 -4.95 114.94 116.65 2daf s ASN 91 Ca -0.10 -2.69 0.23 0.00 -2.14 0.00 0.00 52.86 48.15 2daf s ASN 91 Cb 0.20 -1.23 0.98 0.00 1.28 0.00 0.00 41.25 42.49 2daf s ASN 91 CO 0.79 -0.26 1.86 1.55 -2.04 0.00 0.00 177.10 179.00 2daf h PRO 92 N 6.74 0.00 0.00 3.55 0.13 -1.77 0.22 132.00 140.87 2daf h PRO 92 Ca -0.04 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.00 2daf h PRO 92 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 2daf h PRO 92 CO 0.55 0.25 -0.44 -0.44 -0.23 0.00 0.00 178.00 177.68 2daf h ASP 93 N 0.00 0.00 0.01 1.44 5.19 -1.94 -2.54 116.42 118.58 2daf h ASP 93 Ca -0.00 0.00 -0.39 0.00 -0.62 0.00 0.00 57.03 56.01 2daf h ASP 93 Cb 0.68 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.13 2daf h ASP 93 CO 0.03 0.44 -2.18 0.18 -3.12 0.00 0.00 179.24 174.59 2daf n LEU 94 N -3.93 2.07 -3.60 1.55 4.77 -1.07 -4.81 117.00 111.98 2daf n LEU 94 Ca -0.01 0.30 -0.28 0.00 -0.03 0.00 0.00 56.01 55.99 2daf n LEU 94 Cb 0.48 -0.88 -0.11 0.00 -2.33 0.00 0.00 43.42 40.57 2daf n LEU 94 CO 0.39 0.55 -0.22 -0.31 -1.33 0.00 0.00 177.39 176.48 2daf s TYR 95 N -2.47 1.99 0.50 -1.77 1.51 0.04 -5.12 117.35 112.03 2daf s TYR 95 Ca -0.35 -2.64 -0.21 0.00 -1.01 0.00 0.00 57.07 52.86 2daf s TYR 95 Cb 0.12 -1.62 -0.07 0.00 -0.11 0.00 0.00 41.96 40.28 2daf s TYR 95 CO 0.54 -0.73 1.15 -1.25 -1.11 0.00 0.00 175.55 174.15 2daf s PRO 96 N -0.36 3.57 -0.05 -1.71 0.04 -0.95 -4.39 135.00 131.15 2daf s PRO 96 Ca 0.28 1.69 -0.19 0.00 0.04 0.00 0.00 61.00 62.82 2daf s PRO 96 Cb -0.03 -2.21 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 2daf s PRO 96 CO -0.16 -0.69 0.53 0.08 0.04 0.00 0.00 177.00 176.81 2daf s VAL 97 N -1.66 5.03 0.52 -0.36 1.01 -1.26 -4.96 120.40 118.73 2daf s VAL 97 Ca 0.68 1.10 0.02 0.00 0.00 0.00 0.00 61.98 63.78 2daf s VAL 97 Cb -0.26 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2daf s VAL 97 CO 0.31 0.40 0.11 0.00 0.00 0.00 0.00 175.10 175.91 2daf s ARG 98 N 0.05 2.21 0.82 2.72 1.70 -1.26 -4.74 118.95 120.44 2daf s ARG 98 Ca 0.29 -2.30 -0.12 0.00 -0.47 0.00 0.00 55.73 53.12 2daf s ARG 98 Cb -0.17 -1.68 0.08 0.00 -0.57 0.00 0.00 34.95 32.62 2daf s ARG 98 CO 0.14 -0.43 1.13 1.03 -1.08 0.00 0.00 175.30 176.09 2daf s ARG 99 N -3.98 1.89 -0.03 3.89 0.52 -1.26 -5.00 118.95 114.98 2daf s ARG 99 Ca 0.13 0.39 -0.01 0.00 -0.52 0.00 0.00 55.73 55.72 2daf s ARG 99 Cb 0.01 -1.92 0.02 0.00 0.52 0.00 0.00 34.95 33.58 2daf s ARG 99 CO 0.08 -1.70 0.06 0.42 0.02 0.00 0.00 175.30 174.17 2daf s ILE 100 N -3.31 -0.02 -1.02 1.52 1.01 -1.26 -5.00 121.20 113.11 2daf s ILE 100 Ca 0.62 0.08 -0.23 0.00 0.00 0.00 0.00 60.65 61.12 2daf s ILE 100 Cb -0.13 -0.11 0.02 0.00 0.01 0.00 0.00 42.46 42.25 2daf s ILE 100 CO 0.52 0.03 1.64 -0.62 0.00 0.00 0.00 174.94 176.52 2daf s ASP 101 N 0.47 6.07 0.00 3.58 2.15 -1.26 -4.83 116.67 122.85 2daf s ASP 101 Ca -0.04 -1.32 0.00 0.00 0.43 0.00 0.00 52.55 51.62 2daf s ASP 101 Cb -0.05 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 2daf s ASP 101 CO -0.02 -1.91 0.00 0.61 -0.17 0.00 0.00 175.17 173.68 2daf n GLY 102 N 6.71 0.13 3.63 2.66 0.00 -1.26 -4.96 105.19 112.09 2daf n GLY 102 Ca 0.37 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 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 3.86 -0.36 0.99 0.20 -1.26 -4.99 118.68 117.12 2daf s LEU 103 Ca 0.00 1.30 -0.10 0.00 0.69 0.00 0.00 54.13 56.02 2daf s LEU 103 Cb 0.00 -3.54 0.03 0.00 -0.43 0.00 0.00 46.19 42.25 2daf s LEU 103 CO 0.00 -1.17 0.18 -0.89 -0.29 0.00 0.00 176.35 174.18 2daf s THR 104 N 4.74 4.39 -0.22 3.68 2.01 -1.26 -4.95 115.64 124.03 2daf s THR 104 Ca 0.61 -0.87 -0.17 0.00 0.31 0.00 0.00 61.69 61.58 2daf s THR 104 Cb -0.19 -3.43 -0.13 0.00 0.01 0.00 0.00 72.50 68.76 2daf s THR 104 CO 0.26 -0.18 -0.10 -0.67 -0.69 0.00 0.00 174.62 173.24 2daf n ASP 105 N 4.95 1.89 -4.79 3.53 2.03 -1.26 -5.00 116.55 117.91 2daf n ASP 105 Ca -0.12 0.42 -0.23 0.00 0.52 0.00 0.00 54.79 55.38 2daf n ASP 105 Cb 0.46 -0.88 0.08 0.00 -0.72 0.00 0.00 41.12 40.06 2daf n ASP 105 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2daf s VAL 106 N -2.45 2.32 0.03 5.18 -7.23 -1.26 -5.12 120.40 111.86 2daf s VAL 106 Ca -0.30 -0.58 0.05 0.00 -1.81 0.00 0.00 61.98 59.34 2daf s VAL 106 Cb 0.08 -2.75 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 2daf s VAL 106 CO 0.48 0.00 -0.14 -0.94 -0.31 0.00 0.00 175.10 174.20 2daf s SER 107 N -4.61 1.61 0.49 4.85 1.04 -1.26 -5.16 113.70 110.66 2daf s SER 107 Ca 0.63 -0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.69 2daf s SER 107 Cb -0.07 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 65.90 2daf s SER 107 CO 0.43 0.07 0.05 -1.10 0.98 0.00 0.00 173.24 173.66 2daf s GLN 108 N -0.90 2.16 0.00 4.02 -1.52 -1.26 -5.06 119.66 117.10 2daf s GLN 108 Ca 0.02 -2.29 0.06 0.00 -1.95 0.00 0.00 55.36 51.20 2daf s GLN 108 Cb -0.07 -1.63 -0.06 0.00 -0.22 0.00 0.00 33.01 31.04 2daf s GLN 108 CO 0.01 -0.32 0.25 0.44 -0.25 0.00 0.00 175.29 175.42 2daf n ILE 109 N -1.26 0.00 -1.74 1.08 -5.35 -1.26 -5.03 119.36 105.79 2daf n ILE 109 Ca -0.14 -0.37 -0.33 0.00 -0.27 0.00 0.00 62.75 61.63 2daf n ILE 109 Cb 0.67 1.00 0.05 0.00 -1.74 0.00 0.00 39.64 39.62 2daf n ILE 109 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 2daf s ILE 110 N -1.49 3.04 0.30 7.28 2.07 -1.26 -4.94 121.20 126.21 2daf s ILE 110 Ca 0.02 0.51 -0.28 0.00 -1.41 0.00 0.00 60.65 59.49 2daf s ILE 110 Cb 0.04 -3.04 -0.13 0.00 0.13 0.00 0.00 42.46 39.46 2daf s ILE 110 CO 0.22 -0.28 1.12 1.07 -1.91 0.00 0.00 174.94 175.16 2daf n THR 111 N -2.35 1.95 -4.50 4.00 5.66 -1.26 -5.00 114.28 112.78 2daf n THR 111 Ca 0.11 -0.49 -0.23 0.00 -3.05 0.00 0.00 64.05 60.40 2daf n THR 111 Cb 0.51 -1.20 -0.16 0.00 -1.55 0.00 0.00 70.33 67.93 2daf n THR 111 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2daf s VAL 112 N -1.03 0.97 0.19 1.08 1.01 -1.26 -5.15 120.40 116.22 2daf s VAL 112 Ca 0.58 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 62.23 2daf s VAL 112 Cb -0.66 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2daf s VAL 112 CO 0.60 0.31 -0.19 -0.44 0.00 0.00 0.00 175.10 175.38 2daf s SER 113 N 0.42 2.93 -0.19 3.32 0.01 -1.26 -5.15 113.70 113.77 2daf s SER 113 Ca -0.08 -0.91 -0.32 0.00 1.31 0.00 0.00 55.95 55.95 2daf s SER 113 Cb -0.12 -0.19 0.15 0.00 0.21 0.00 0.00 66.02 66.06 2daf s SER 113 CO 0.02 -0.02 1.17 -0.83 0.41 0.00 0.00 173.24 173.99 2daf s GLY 114 N -2.88 -0.20 1.03 3.44 0.00 -1.26 -5.14 107.32 102.31 2daf s GLY 114 Ca 0.20 2.01 -0.13 0.00 0.00 0.00 0.00 44.72 46.79 2daf s GLY 114 CO 0.08 0.81 1.09 2.56 0.00 0.00 0.00 173.10 177.65 2daf s PRO 115 N -1.74 0.18 0.08 2.90 0.04 -1.26 -5.08 135.00 130.13 2daf s PRO 115 Ca 0.06 0.44 -0.27 0.00 0.04 0.00 0.00 61.00 61.27 2daf s PRO 115 Cb -0.01 -1.72 0.09 0.00 0.04 0.00 0.00 34.50 32.91 2daf s PRO 115 CO -0.04 -2.88 1.12 -1.54 0.04 0.00 0.00 177.00 173.70 2daf s SER 116 N -3.49 -0.09 0.52 6.66 1.04 -1.26 -5.19 113.70 111.90 2daf s SER 116 Ca 0.66 -0.33 0.07 0.00 0.48 0.00 0.00 55.95 56.83 2daf s SER 116 Cb -0.18 0.34 0.04 0.00 0.10 0.00 0.00 66.02 66.32 2daf s SER 116 CO 0.58 -0.64 0.52 -0.44 0.98 0.00 0.00 173.24 174.23 2daf s SER 117 N -3.08 4.88 0.00 7.02 0.01 -1.26 -5.28 113.70 115.99 2daf s SER 117 Ca 0.15 -1.01 0.16 0.00 1.31 0.00 0.00 55.95 56.56 2daf s SER 117 Cb 0.01 0.16 0.93 0.00 0.21 0.00 0.00 66.02 67.32 2daf s SER 117 CO 0.00 -1.08 1.34 0.61 0.41 0.00 0.00 173.24 174.52