#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 1.03 -4.68 1.61 2.88 -1.26 -5.02 113.62 108.18 2daf n SER 2 Ca 0.00 0.09 -0.45 0.00 -1.33 0.00 0.00 58.87 57.18 2daf n SER 2 Cb 0.00 -0.25 -0.03 0.00 -0.75 0.00 0.00 64.21 63.18 2daf n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2daf n SER 3 N -3.31 3.01 -0.87 -3.46 3.41 -1.26 -4.97 113.62 106.17 2daf n SER 3 Ca -0.17 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 2daf n SER 3 Cb 0.63 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 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 2.49 3.80 3.50 5.00 0.00 -1.26 -5.18 105.19 113.55 2daf n GLY 4 Ca 0.13 -1.51 -0.14 0.00 0.00 0.00 0.00 46.02 44.50 2daf n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2daf s SER 5 N -0.71 -0.62 -0.10 1.61 0.15 -1.26 -5.16 113.70 107.61 2daf s SER 5 Ca 0.00 1.19 0.03 0.00 0.70 0.00 0.00 55.95 57.87 2daf s SER 5 Cb 0.00 1.21 -0.01 0.00 -1.71 0.00 0.00 66.02 65.51 2daf s SER 5 CO 0.00 -0.22 -0.18 -0.94 1.20 0.00 0.00 173.24 173.10 2daf s SER 6 N 0.28 3.62 0.28 5.45 1.04 -1.26 -5.12 113.70 117.99 2daf s SER 6 Ca -0.00 -0.39 -0.06 0.00 0.48 0.00 0.00 55.95 55.98 2daf s SER 6 Cb -0.04 -1.29 -0.05 0.00 0.10 0.00 0.00 66.02 64.73 2daf s SER 6 CO 0.01 0.21 0.55 -0.83 0.98 0.00 0.00 173.24 174.16 2daf s GLY 7 N 0.08 1.91 0.97 7.32 0.00 -1.26 -5.08 107.32 111.26 2daf s GLY 7 Ca -0.08 -0.52 -0.12 0.00 0.00 0.00 0.00 44.72 44.00 2daf s GLY 7 CO 0.05 -0.41 1.09 1.20 0.00 0.00 0.00 173.10 175.03 2daf s GLN 8 N -3.45 0.68 -0.37 2.90 -0.21 -1.26 -4.91 119.66 113.04 2daf s GLN 8 Ca 0.44 0.88 -0.02 0.00 0.02 0.00 0.00 55.36 56.68 2daf s GLN 8 Cb -0.11 -1.74 0.19 0.00 1.00 0.00 0.00 33.01 32.36 2daf s GLN 8 CO 0.29 -2.65 2.19 -0.85 -2.12 0.00 0.00 175.29 172.15 2daf n GLU 9 N -4.18 1.99 0.01 2.91 0.00 -1.26 -4.44 120.64 115.67 2daf n GLU 9 Ca 0.07 -1.84 -0.10 0.00 0.00 0.00 0.00 57.16 55.29 2daf n GLU 9 Cb 0.55 -1.77 0.05 0.00 0.00 0.00 0.00 31.44 30.26 2daf n GLU 9 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2daf h SER 10 N 1.84 0.62 -3.65 -1.84 4.64 -2.05 -3.41 113.55 109.70 2daf h SER 10 Ca 0.33 -0.34 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 2daf h SER 10 Cb 0.87 -0.18 -0.11 0.00 -0.31 0.00 0.00 62.40 62.67 2daf h SER 10 CO 0.84 1.06 0.52 -0.69 -0.87 0.00 0.00 176.83 177.68 2daf s VAL 11 N -3.96 4.52 -0.26 0.95 1.01 -1.26 -5.02 120.40 116.38 2daf s VAL 11 Ca -0.07 0.66 -0.04 0.00 0.00 0.00 0.00 61.98 62.53 2daf s VAL 11 Cb 0.11 -4.40 0.01 0.00 0.00 0.00 0.00 36.38 32.09 2daf s VAL 11 CO 0.84 -0.80 -0.00 -1.83 0.00 0.00 0.00 175.10 173.31 2daf s GLU 12 N 3.63 3.11 -0.29 2.72 -1.05 -1.26 -5.06 118.70 120.49 2daf s GLU 12 Ca 0.35 -0.81 -0.08 0.00 -0.15 0.00 0.00 54.97 54.27 2daf s GLU 12 Cb -0.11 -3.14 0.14 0.00 -0.44 0.00 0.00 34.13 30.58 2daf s GLU 12 CO 0.25 -0.35 0.62 0.16 0.95 0.00 0.00 175.26 176.89 2daf s ASP 13 N 1.44 -1.10 -1.36 0.83 -4.77 -1.26 -4.93 116.67 105.52 2daf s ASP 13 Ca 0.03 1.40 -0.09 0.00 -3.30 0.00 0.00 52.55 50.59 2daf s ASP 13 Cb -0.16 2.20 0.01 0.00 -1.09 0.00 0.00 42.92 43.88 2daf s ASP 13 CO -0.01 -0.23 1.19 -1.20 0.70 0.00 0.00 175.17 175.62 2daf n SER 14 N 5.44 -6.39 -4.76 2.11 7.64 -1.26 -4.75 113.62 111.65 2daf n SER 14 Ca -0.10 -0.54 -0.40 0.00 1.01 0.00 0.00 58.87 58.84 2daf n SER 14 Cb 0.49 -5.03 -0.05 0.00 -1.01 0.00 0.00 64.21 58.61 2daf n SER 14 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2daf s LEU 15 N -7.32 4.58 -0.03 -3.43 1.43 -1.26 -2.98 118.68 109.67 2daf s LEU 15 Ca 0.59 2.18 0.03 0.00 -1.03 0.00 0.00 54.13 55.90 2daf s LEU 15 Cb -0.26 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.34 2daf s LEU 15 CO 0.73 -0.07 -0.12 0.00 0.23 0.00 0.00 176.35 177.12 2daf s ALA 16 N -1.12 1.09 -0.27 4.21 0.00 -0.14 0.53 121.76 126.07 2daf s ALA 16 Ca 0.44 -0.48 -0.29 0.00 0.00 0.00 0.00 51.96 51.63 2daf s ALA 16 Cb -0.30 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 2daf s ALA 16 CO 0.38 0.21 1.75 0.99 0.00 0.00 0.00 175.76 179.09 2daf s THR 17 N 0.02 3.52 -0.29 0.00 2.01 0.27 -3.13 115.64 118.04 2daf s THR 17 Ca -0.01 0.56 -0.03 0.00 0.31 0.00 0.00 61.69 62.52 2daf s THR 17 Cb -0.08 -3.62 0.04 0.00 0.01 0.00 0.00 72.50 68.85 2daf s THR 17 CO 0.01 -0.33 0.01 -0.69 -0.69 0.00 0.00 174.62 172.92 2daf s VAL 18 N 6.19 3.15 -0.08 3.82 1.01 -1.24 -2.30 120.40 130.95 2daf s VAL 18 Ca 0.78 -1.21 -0.22 0.00 0.00 0.00 0.00 61.98 61.33 2daf s VAL 18 Cb -0.25 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 2daf s VAL 18 CO 0.32 -0.03 0.63 -0.54 0.00 0.00 0.00 175.10 175.48 2daf s LYS 19 N 1.31 4.40 -0.10 2.72 1.02 -1.19 -3.33 119.74 124.56 2daf s LYS 19 Ca -0.03 0.74 -0.02 0.00 0.02 0.00 0.00 55.97 56.68 2daf s LYS 19 Cb -0.19 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.66 2daf s LYS 19 CO -0.01 0.12 -0.02 0.08 -0.92 0.00 0.00 175.35 174.60 2daf s VAL 20 N 0.66 4.11 -0.08 3.17 1.01 0.67 -1.46 120.40 128.47 2daf s VAL 20 Ca 0.34 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.02 2daf s VAL 20 Cb -0.17 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.49 2daf s VAL 20 CO 0.16 0.57 -0.11 -0.69 0.00 0.00 0.00 175.10 175.03 2daf s VAL 21 N -0.54 1.12 -0.06 2.92 1.01 -0.71 -0.53 120.40 123.62 2daf s VAL 21 Ca 0.09 -0.43 -0.28 0.00 0.00 0.00 0.00 61.98 61.35 2daf s VAL 21 Cb -0.12 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 2daf s VAL 21 CO 0.02 0.36 0.93 -0.76 0.00 0.00 0.00 175.10 175.65 2daf s LEU 22 N 0.95 4.31 -0.04 3.92 1.43 -0.95 -0.94 118.68 127.36 2daf s LEU 22 Ca -0.09 1.50 -0.17 0.00 -1.03 0.00 0.00 54.13 54.34 2daf s LEU 22 Cb -0.15 -3.46 -0.11 0.00 0.03 0.00 0.00 46.19 42.51 2daf s LEU 22 CO 0.00 -0.30 0.70 0.40 0.23 0.00 0.00 176.35 177.38 2daf h ILE 23 N 4.91 0.26 0.00 -0.59 1.08 -1.74 1.56 117.51 122.99 2daf h ILE 23 Ca -0.37 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 63.35 2daf h ILE 23 Cb 1.19 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 2daf h ILE 23 CO 0.79 0.06 0.00 1.55 -0.69 0.00 0.00 178.15 179.86 2daf h PRO 24 N -1.05 0.00 0.00 2.37 0.13 -1.94 -3.33 132.00 128.18 2daf h PRO 24 Ca -0.05 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.98 2daf h PRO 24 Cb 0.44 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.56 2daf h PRO 24 CO 0.07 0.00 -1.15 0.28 -0.23 0.00 0.00 178.00 176.97 2daf n VAL 25 N -2.80 1.29 -0.20 1.56 0.31 -1.24 -5.03 118.33 112.22 2daf n VAL 25 Ca 0.01 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2daf n VAL 25 Cb 0.27 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 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 2.01 0.64 3.75 2.92 0.00 0.53 -4.98 105.19 110.06 2daf n GLY 26 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.80 4.78 -0.05 1.61 0.74 -1.26 -4.67 119.66 120.01 2daf s GLN 27 Ca 0.00 1.60 -0.16 0.00 0.05 0.00 0.00 55.36 56.85 2daf s GLN 27 Cb 0.00 -3.25 -0.05 0.00 1.10 0.00 0.00 33.01 30.81 2daf s GLN 27 CO 0.00 0.41 0.42 -1.21 -0.55 0.00 0.00 175.29 174.35 2daf s GLU 28 N -1.24 4.09 -0.03 1.67 2.02 -1.26 -2.24 118.70 121.70 2daf s GLU 28 Ca 0.42 0.39 0.02 0.00 0.02 0.00 0.00 54.97 55.82 2daf s GLU 28 Cb -0.28 -3.31 0.01 0.00 0.10 0.00 0.00 34.13 30.65 2daf s GLU 28 CO 0.35 0.48 -0.07 0.42 0.02 0.00 0.00 175.26 176.46 2daf s ILE 29 N -0.39 0.62 -0.17 -1.63 1.01 0.31 -5.01 121.20 115.94 2daf s ILE 29 Ca 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.61 2daf s ILE 29 Cb -0.16 -0.58 -0.02 0.00 0.01 0.00 0.00 42.46 41.71 2daf s ILE 29 CO 0.11 0.21 -0.04 -0.69 0.00 0.00 0.00 174.94 174.53 2daf s VAL 30 N 0.42 3.71 -0.13 2.92 1.01 -1.26 -0.24 120.40 126.83 2daf s VAL 30 Ca -0.06 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 2daf s VAL 30 Cb -0.10 -2.64 0.05 0.00 0.00 0.00 0.00 36.38 33.70 2daf s VAL 30 CO 0.00 0.47 0.30 -0.51 0.00 0.00 0.00 175.10 175.36 2daf s ILE 31 N 0.64 -0.11 0.01 2.22 2.07 -1.21 -5.03 121.20 119.79 2daf s ILE 31 Ca -0.03 0.15 -0.30 0.00 -1.41 0.00 0.00 60.65 59.06 2daf s ILE 31 Cb -0.15 -0.46 -0.06 0.00 0.13 0.00 0.00 42.46 41.93 2daf s ILE 31 CO 0.02 0.06 1.44 -2.16 -1.91 0.00 0.00 174.94 172.39 2daf s PRO 32 N 1.49 4.27 0.02 3.50 0.04 -1.26 -3.70 135.00 139.36 2daf s PRO 32 Ca -0.08 2.02 0.01 0.00 0.04 0.00 0.00 61.00 62.99 2daf s PRO 32 Cb -0.10 -3.57 -0.02 0.00 0.04 0.00 0.00 34.50 30.85 2daf s PRO 32 CO -0.10 -0.60 -0.04 0.12 0.04 0.00 0.00 177.00 176.43 2daf s PHE 33 N 2.41 0.34 0.76 0.56 5.36 -1.18 -5.01 117.98 121.22 2daf s PHE 33 Ca 0.65 -0.40 -0.12 0.00 -0.96 0.00 0.00 56.93 56.11 2daf s PHE 33 Cb -0.33 -0.23 0.05 0.00 -0.34 0.00 0.00 43.02 42.18 2daf s PHE 33 CO 0.27 -0.12 1.10 0.15 -1.46 0.00 0.00 175.22 175.17 2daf s LYS 34 N -1.14 2.40 -0.02 10.12 3.01 -1.26 -0.96 119.74 131.89 2daf s LYS 34 Ca -0.10 0.51 0.20 0.00 -1.01 0.00 0.00 55.97 55.58 2daf s LYS 34 Cb -0.08 -1.96 -0.28 0.00 -1.01 0.00 0.00 37.83 34.50 2daf s LYS 34 CO -0.00 -1.37 0.61 1.33 0.51 0.00 0.00 175.35 176.43 2daf n VAL 35 N -3.24 0.00 -1.40 3.17 0.24 -1.16 -4.31 118.33 111.63 2daf n VAL 35 Ca 0.07 -0.29 -0.12 0.00 -2.04 0.00 0.00 64.34 61.96 2daf n VAL 35 Cb 0.57 0.43 0.19 0.00 -1.47 0.00 0.00 33.84 33.55 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 -1.91 3.05 -3.95 -1.34 5.75 -1.26 -2.09 116.55 114.79 2daf n ASP 36 Ca -0.01 -3.74 -0.18 0.00 -0.01 0.00 0.00 54.79 50.85 2daf n ASP 36 Cb 0.44 -0.71 -0.15 0.00 -1.03 0.00 0.00 41.12 39.68 2daf n ASP 36 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2daf s THR 37 N -3.35 0.52 1.03 2.12 2.01 -1.26 -5.07 115.64 111.65 2daf s THR 37 Ca 0.49 -0.22 -0.15 0.00 0.31 0.00 0.00 61.69 62.11 2daf s THR 37 Cb 0.43 -0.47 0.07 0.00 0.01 0.00 0.00 72.50 72.55 2daf s THR 37 CO 0.03 0.17 0.23 2.30 -0.69 0.00 0.00 174.62 176.66 2daf n ILE 38 N 3.29 0.00 0.01 1.82 -6.64 -1.26 -4.52 119.36 112.06 2daf n ILE 38 Ca -0.17 -0.25 -0.04 0.00 -1.77 0.00 0.00 62.75 60.52 2daf n ILE 38 Cb 0.55 -0.62 -0.11 0.00 -1.44 0.00 0.00 39.64 38.02 2daf n ILE 38 CO 0.00 0.00 0.00 -0.07 -1.77 0.00 0.00 176.55 174.71 2daf h LEU 39 N -1.82 0.00 -1.24 7.28 3.38 -1.60 -3.36 115.31 117.93 2daf h LEU 39 Ca -0.49 0.00 0.41 0.00 0.09 0.00 0.00 57.88 57.90 2daf h LEU 39 Cb 1.32 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.97 2daf h LEU 39 CO 0.36 0.81 0.82 1.17 0.09 0.00 0.00 178.44 181.70 2daf n LYS 40 N -3.02 -0.02 -0.08 1.13 4.81 -1.22 0.23 118.16 120.00 2daf n LYS 40 Ca -0.12 1.00 -0.12 0.00 -0.87 0.00 0.00 58.31 58.20 2daf n LYS 40 Cb 0.94 -2.04 -0.05 0.00 0.02 0.00 0.00 35.03 33.90 2daf n LYS 40 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 2daf h TYR 41 N 0.00 0.55 0.00 5.64 0.05 -1.91 -0.30 116.97 120.99 2daf h TYR 41 Ca 0.74 -0.14 -0.02 0.00 0.05 0.00 0.00 58.73 59.36 2daf h TYR 41 Cb 2.51 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 40.12 2daf h TYR 41 CO -0.00 0.76 -0.08 1.25 -1.05 0.00 0.00 178.16 179.03 2daf h LEU 42 N 0.17 0.00 0.04 3.88 5.85 0.27 -3.02 115.31 122.51 2daf h LEU 42 Ca 0.05 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 2daf h LEU 42 Cb 0.63 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2daf h LEU 42 CO 0.04 0.08 -0.37 0.50 -0.34 0.00 0.00 178.44 178.35 2daf h LYS 43 N 0.00 0.09 -0.07 1.25 3.64 -0.70 -3.27 116.57 117.52 2daf h LYS 43 Ca -0.00 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.24 2daf h LYS 43 Cb 0.72 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2daf h LYS 43 CO 0.01 1.08 0.07 -0.44 -2.27 0.00 0.00 179.45 177.90 2daf h ASP 44 N -0.80 0.00 -0.05 4.20 3.32 -1.06 0.78 116.42 122.81 2daf h ASP 44 Ca -0.08 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 2daf h ASP 44 Cb 1.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 2daf h ASP 44 CO 0.03 0.00 -0.03 -0.74 -1.72 0.00 0.00 179.24 176.78 2daf h HIS 45 N 0.00 0.12 -0.11 4.55 2.76 -1.60 -2.52 115.15 118.35 2daf h HIS 45 Ca 0.03 -0.03 -0.22 0.00 -2.20 0.00 0.00 60.37 57.95 2daf h HIS 45 Cb 0.18 -0.03 0.01 0.00 1.55 0.00 0.00 27.41 29.12 2daf h HIS 45 CO 0.00 0.50 -0.80 0.74 -1.30 0.00 0.00 177.93 177.06 2daf h PHE 46 N -0.28 0.91 0.28 5.26 -1.00 -1.44 -2.95 116.94 117.71 2daf h PHE 46 Ca 0.01 -0.42 -0.01 0.00 2.81 0.00 0.00 57.97 60.37 2daf h PHE 46 Cb 0.46 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.88 2daf h PHE 46 CO 0.07 1.23 -0.27 1.03 -1.61 0.00 0.00 178.31 178.76 2daf h SER 47 N 0.44 -0.74 -0.22 2.17 0.87 -0.91 0.27 113.55 115.43 2daf h SER 47 Ca -0.06 0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.62 2daf h SER 47 Cb 1.42 0.24 -0.07 0.00 -0.44 0.00 0.00 62.40 63.55 2daf h SER 47 CO 0.16 -0.36 -0.32 1.12 -0.53 0.00 0.00 176.83 176.90 2daf h HIS 48 N -0.55 -0.88 0.15 2.24 2.07 -1.57 0.29 115.15 116.89 2daf h HIS 48 Ca -0.04 0.04 0.01 0.00 -2.85 0.00 0.00 60.37 57.54 2daf h HIS 48 Cb 0.47 0.42 -0.04 0.00 2.57 0.00 0.00 27.41 30.83 2daf h HIS 48 CO -0.15 -0.39 -0.47 1.25 -3.07 0.00 0.00 177.93 175.09 2daf h LEU 49 N -0.35 -1.42 -2.01 6.12 7.12 -1.43 -0.55 115.31 122.81 2daf h LEU 49 Ca 0.12 0.15 0.14 0.00 0.13 0.00 0.00 57.88 58.42 2daf h LEU 49 Cb 0.54 0.52 -0.02 0.00 -0.53 0.00 0.00 40.66 41.16 2daf h LEU 49 CO -0.41 -0.51 0.36 -0.07 -0.13 0.00 0.00 178.44 177.68 2daf h LEU 50 N -0.70 0.00 0.00 2.25 3.38 -0.15 -3.45 115.31 116.63 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 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2daf h LEU 50 CO -0.24 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.90 2daf n GLY 51 N -1.63 3.18 3.90 0.83 0.00 0.99 -4.93 105.19 107.53 2daf n GLY 51 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.90 5.09 0.63 -0.61 -4.36 -1.09 -4.90 121.20 113.07 2daf s ILE 52 Ca 0.00 0.05 -0.16 0.00 -0.26 0.00 0.00 60.65 60.28 2daf s ILE 52 Cb 0.00 -3.67 -0.01 0.00 1.25 0.00 0.00 42.46 40.02 2daf s ILE 52 CO 0.00 -0.12 1.11 -2.16 0.24 0.00 0.00 174.94 174.02 2daf s PRO 53 N -3.05 2.94 0.42 0.37 0.04 -1.26 -4.18 135.00 130.27 2daf s PRO 53 Ca 0.43 1.44 0.23 0.00 0.04 0.00 0.00 61.00 63.14 2daf s PRO 53 Cb -0.11 -1.96 0.62 0.00 0.04 0.00 0.00 34.50 33.08 2daf s PRO 53 CO 0.26 -1.15 1.70 1.12 0.04 0.00 0.00 177.00 178.97 2daf h HIS 54 N 0.31 0.00 -0.83 0.56 2.07 -1.91 -3.21 115.15 112.14 2daf h HIS 54 Ca -0.48 0.00 0.20 0.00 -2.85 0.00 0.00 60.37 57.24 2daf h HIS 54 Cb 1.25 0.00 -0.15 0.00 2.57 0.00 0.00 27.41 31.08 2daf h HIS 54 CO 0.54 0.21 0.01 1.03 -3.07 0.00 0.00 177.93 176.64 2daf h SER 55 N 0.00 -0.39 0.14 3.10 0.87 -2.00 -1.76 113.55 113.51 2daf h SER 55 Ca -0.00 0.22 -0.28 0.00 -1.23 0.00 0.00 61.79 60.50 2daf h SER 55 Cb 0.94 0.39 0.01 0.00 -0.44 0.00 0.00 62.40 63.29 2daf h SER 55 CO 0.03 -0.22 -1.37 -0.37 -0.53 0.00 0.00 176.83 174.37 2daf h VAL 56 N 0.08 1.12 -3.20 2.23 -1.51 -1.98 -3.46 116.25 109.54 2daf h VAL 56 Ca 0.47 -2.47 -0.53 0.00 -1.23 0.00 0.00 66.70 62.94 2daf h VAL 56 Cb 0.86 2.84 0.04 0.00 -2.13 0.00 0.00 31.29 32.90 2daf h VAL 56 CO -0.74 0.74 0.76 -0.22 -1.23 0.00 0.00 177.57 176.88 2daf s LEU 57 N -7.57 4.38 0.33 4.19 2.96 -0.66 -2.63 118.68 119.69 2daf s LEU 57 Ca -0.17 2.56 0.04 0.00 -0.22 0.00 0.00 54.13 56.34 2daf s LEU 57 Cb 0.04 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 2daf s LEU 57 CO 0.81 -0.69 0.17 -1.10 -1.32 0.00 0.00 176.35 174.21 2daf s GLN 58 N 0.22 1.69 -0.07 1.98 -1.52 -0.67 -4.77 119.66 116.52 2daf s GLN 58 Ca 0.62 -1.98 0.01 0.00 -1.95 0.00 0.00 55.36 52.06 2daf s GLN 58 Cb -0.41 -0.16 0.02 0.00 -0.22 0.00 0.00 33.01 32.25 2daf s GLN 58 CO 0.38 -0.48 -0.09 0.42 -0.25 0.00 0.00 175.29 175.27 2daf s ILE 59 N -3.50 0.94 -0.19 1.08 1.01 -1.26 -3.07 121.20 116.21 2daf s ILE 59 Ca 0.34 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 2daf s ILE 59 Cb 0.04 -0.90 -0.01 0.00 0.01 0.00 0.00 42.46 41.60 2daf s ILE 59 CO 0.18 0.32 -0.06 -0.60 0.00 0.00 0.00 174.94 174.79 2daf s ARG 60 N 0.95 3.43 -0.08 2.79 3.52 -0.60 -1.65 118.95 127.31 2daf s ARG 60 Ca -0.10 -0.62 0.01 0.00 -0.13 0.00 0.00 55.73 54.90 2daf s ARG 60 Cb -0.15 -2.93 0.02 0.00 -1.56 0.00 0.00 34.95 30.33 2daf s ARG 60 CO 0.00 -0.05 -0.10 -0.47 -0.81 0.00 0.00 175.30 173.88 2daf s TYR 61 N 1.08 1.43 -1.41 5.12 5.04 -0.11 -1.61 117.35 126.88 2daf s TYR 61 Ca 0.01 -0.59 -0.05 0.00 -2.44 0.00 0.00 57.07 54.01 2daf s TYR 61 Cb -0.15 -1.10 0.02 0.00 0.35 0.00 0.00 41.96 41.09 2daf s TYR 61 CO -0.00 -0.35 0.38 0.45 -1.34 0.00 0.00 175.55 174.68 2daf n SER 62 N 4.20 -4.98 0.00 4.32 2.88 -1.26 0.13 113.62 118.91 2daf n SER 62 Ca -0.20 -0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 2daf n SER 62 Cb 0.51 -4.10 0.00 0.00 -0.75 0.00 0.00 64.21 59.87 2daf n SER 62 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2daf n GLY 63 N -1.22 1.59 3.97 0.46 0.00 -1.26 -5.01 105.19 103.72 2daf n GLY 63 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.04 2.86 -0.64 1.61 1.02 0.12 -5.07 119.74 119.59 2daf s LYS 64 Ca 0.00 -0.77 -0.02 0.00 0.02 0.00 0.00 55.97 55.20 2daf s LYS 64 Cb 0.00 -2.60 0.16 0.00 -0.52 0.00 0.00 37.83 34.87 2daf s LYS 64 CO 0.00 -0.38 0.45 0.42 -0.92 0.00 0.00 175.35 174.93 2daf s ILE 65 N -2.54 3.61 0.25 2.17 -1.09 -1.26 -0.93 121.20 121.41 2daf s ILE 65 Ca 0.52 -3.14 -0.30 0.00 -2.23 0.00 0.00 60.65 55.49 2daf s ILE 65 Cb -0.10 -3.36 -0.11 0.00 -1.58 0.00 0.00 42.46 37.32 2daf s ILE 65 CO 0.36 -0.89 1.54 -0.76 -1.23 0.00 0.00 174.94 173.96 2daf s LEU 66 N -0.27 4.37 0.55 2.97 1.43 -0.66 -5.00 118.68 122.07 2daf s LEU 66 Ca 0.18 2.79 0.09 0.00 -1.03 0.00 0.00 54.13 56.16 2daf s LEU 66 Cb -0.19 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.47 2daf s LEU 66 CO -0.04 -0.82 0.70 -0.54 0.23 0.00 0.00 176.35 175.88 2daf s LYS 67 N -0.14 2.34 -0.07 1.70 1.02 -1.26 -4.25 119.74 119.09 2daf s LYS 67 Ca 0.63 -1.67 -0.24 0.00 0.02 0.00 0.00 55.97 54.71 2daf s LYS 67 Cb -0.45 -2.55 -0.19 0.00 -0.52 0.00 0.00 37.83 34.11 2daf s LYS 67 CO 0.43 -0.76 0.94 -2.95 -0.92 0.00 0.00 175.35 172.10 2daf h ASN 68 N 0.34 -0.07 0.39 2.83 -1.07 -1.95 -3.15 115.58 112.89 2daf h ASN 68 Ca -0.32 -0.55 0.00 0.00 0.07 0.00 0.00 56.30 55.50 2daf h ASN 68 Cb 1.29 0.02 0.00 0.00 -2.07 0.00 0.00 38.32 37.56 2daf h ASN 68 CO 0.44 0.57 0.00 0.59 0.07 0.00 0.00 177.43 179.10 2daf n ASN 69 N -4.82 0.00 -4.76 6.14 3.02 -1.26 -2.86 115.26 110.72 2daf n ASN 69 Ca -0.08 0.37 -0.29 0.00 -0.03 0.00 0.00 54.58 54.55 2daf n ASN 69 Cb 0.30 -0.43 0.13 0.00 -0.61 0.00 0.00 39.78 39.17 2daf n ASN 69 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2daf s GLU 70 N -2.86 1.23 0.02 3.52 0.41 -1.19 -4.95 118.70 114.88 2daf s GLU 70 Ca 0.08 0.22 0.01 0.00 -0.41 0.00 0.00 54.97 54.87 2daf s GLU 70 Cb 0.09 -1.86 -0.02 0.00 -1.78 0.00 0.00 34.13 30.57 2daf s GLU 70 CO 0.23 -2.12 -0.04 0.99 -0.49 0.00 0.00 175.26 173.82 2daf s THR 71 N -3.36 0.26 0.09 3.63 2.01 -1.26 -3.71 115.64 113.30 2daf s THR 71 Ca 0.64 -0.71 -0.29 0.00 0.31 0.00 0.00 61.69 61.64 2daf s THR 71 Cb -0.13 -0.33 -0.14 0.00 0.01 0.00 0.00 72.50 71.91 2daf s THR 71 CO 0.52 -0.29 1.64 -0.07 -0.69 0.00 0.00 174.62 175.73 2daf h LEU 72 N 5.05 -0.72 -1.14 4.42 -0.00 -1.79 -2.28 115.31 118.85 2daf h LEU 72 Ca -0.31 0.06 0.23 0.00 -0.00 0.00 0.00 57.88 57.85 2daf h LEU 72 Cb 1.21 0.23 -0.10 0.00 -0.00 0.00 0.00 40.66 41.99 2daf h LEU 72 CO 0.44 -0.41 0.62 -0.37 -0.00 0.00 0.00 178.44 178.72 2daf h VAL 73 N -0.62 0.61 -0.11 1.22 -1.51 -1.58 0.48 116.25 114.74 2daf h VAL 73 Ca -0.03 -0.20 -0.03 0.00 -1.23 0.00 0.00 66.70 65.22 2daf h VAL 73 Cb 0.55 -0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 29.67 2daf h VAL 73 CO -0.01 0.11 -0.05 1.56 -1.23 0.00 0.00 177.57 177.94 2daf h GLN 74 N 0.59 0.16 0.00 5.19 1.08 -1.71 -1.31 115.11 119.10 2daf h GLN 74 Ca 0.59 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.77 2daf h GLN 74 Cb 1.17 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 2daf h GLN 74 CO -0.37 0.22 -0.45 0.45 -0.95 0.00 0.00 178.83 177.74 2daf h HIS 75 N 0.15 0.00 0.00 2.96 3.86 0.21 -3.48 115.15 118.85 2daf h HIS 75 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2daf h HIS 75 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 2daf h HIS 75 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 2daf n GLY 76 N 1.28 0.72 2.95 2.45 0.00 -0.45 -5.11 105.19 107.03 2daf n GLY 76 Ca 0.03 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.28 0.75 0.24 1.61 1.01 -1.16 -4.96 120.40 116.62 2daf s VAL 77 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.75 2daf s VAL 77 Cb 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 2daf s VAL 77 CO 0.00 0.27 0.38 -0.54 0.00 0.00 0.00 175.10 175.21 2daf s LYS 78 N 0.76 3.46 0.48 2.72 1.02 -1.26 -4.17 119.74 122.75 2daf s LYS 78 Ca -0.12 -0.62 -0.22 0.00 0.02 0.00 0.00 55.97 55.03 2daf s LYS 78 Cb -0.15 -2.86 -0.07 0.00 -0.52 0.00 0.00 37.83 34.23 2daf s LYS 78 CO 0.02 0.40 1.16 -1.25 -0.92 0.00 0.00 175.35 174.75 2daf s PRO 79 N -3.83 3.65 -1.24 -1.68 0.04 -1.26 -3.47 135.00 127.21 2daf s PRO 79 Ca 0.36 1.73 -0.08 0.00 0.04 0.00 0.00 61.00 63.05 2daf s PRO 79 Cb -0.10 -2.30 0.01 0.00 0.04 0.00 0.00 34.50 32.15 2daf s PRO 79 CO 0.30 -0.63 1.03 1.04 0.04 0.00 0.00 177.00 178.78 2daf n GLN 80 N -0.70 -7.00 -4.43 4.56 6.02 0.19 -4.92 117.38 111.10 2daf n GLN 80 Ca 0.08 0.75 -0.22 0.00 -0.01 0.00 0.00 57.00 57.61 2daf n GLN 80 Cb 0.49 -5.55 -0.10 0.00 1.02 0.00 0.00 30.24 26.10 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 -6.14 1.55 -0.10 -1.09 -1.05 -1.23 -4.86 118.70 105.79 2daf s GLU 81 Ca 0.51 -1.71 -0.03 0.00 -0.15 0.00 0.00 54.97 53.59 2daf s GLU 81 Cb -0.23 -1.52 -0.03 0.00 -0.44 0.00 0.00 34.13 31.91 2daf s GLU 81 CO 0.63 0.27 0.01 0.42 0.95 0.00 0.00 175.26 177.54 2daf s ILE 82 N -2.69 4.42 0.26 1.83 1.01 -1.26 -0.57 121.20 124.20 2daf s ILE 82 Ca 0.27 -0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.78 2daf s ILE 82 Cb -0.03 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.54 2daf s ILE 82 CO 0.12 0.59 0.19 1.33 0.00 0.00 0.00 174.94 177.17 2daf n VAL 83 N 2.34 0.00 -3.57 2.92 0.24 -0.97 -5.02 118.33 114.27 2daf n VAL 83 Ca -0.18 -1.81 -0.16 0.00 -2.04 0.00 0.00 64.34 60.14 2daf n VAL 83 Cb 0.54 0.86 -0.13 0.00 -1.47 0.00 0.00 33.84 33.64 2daf n VAL 83 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2daf s GLN 84 N -3.03 0.15 0.36 7.34 0.74 -1.26 -3.20 119.66 120.76 2daf s GLN 84 Ca 0.27 0.43 0.09 0.00 0.05 0.00 0.00 55.36 56.20 2daf s GLN 84 Cb 0.01 -0.69 -0.06 0.00 1.10 0.00 0.00 33.01 33.36 2daf s GLN 84 CO 0.19 -0.49 -0.02 0.14 -0.55 0.00 0.00 175.29 174.56 2daf s VAL 85 N 2.35 2.29 0.01 1.34 -7.23 -0.54 -4.50 120.40 114.12 2daf s VAL 85 Ca 0.05 -2.06 0.05 0.00 -1.81 0.00 0.00 61.98 58.21 2daf s VAL 85 Cb -0.14 -2.80 -0.02 0.00 0.56 0.00 0.00 36.38 33.98 2daf s VAL 85 CO -0.10 -0.14 -0.15 -1.61 -0.31 0.00 0.00 175.10 172.79 2daf s GLU 86 N -3.68 1.12 -0.08 4.82 8.01 -0.64 -1.74 118.70 126.51 2daf s GLU 86 Ca 0.34 -0.66 0.04 0.00 0.01 0.00 0.00 54.97 54.71 2daf s GLU 86 Cb 0.04 -1.12 -0.01 0.00 -4.31 0.00 0.00 34.13 28.73 2daf s GLU 86 CO 0.18 0.29 -0.23 0.42 0.01 0.00 0.00 175.26 175.93 2daf s ILE 87 N -0.58 2.19 0.18 -1.63 1.01 -0.12 -1.55 121.20 120.70 2daf s ILE 87 Ca 0.04 -0.99 -0.18 0.00 0.00 0.00 0.00 60.65 59.52 2daf s ILE 87 Cb -0.07 -1.83 0.03 0.00 0.01 0.00 0.00 42.46 40.61 2daf s ILE 87 CO 0.00 0.56 0.52 0.72 0.00 0.00 0.00 174.94 176.74 2daf s PHE 88 N 0.11 -0.18 -0.20 3.97 -0.12 -1.17 -1.86 117.98 118.52 2daf s PHE 88 Ca -0.11 -0.14 -0.04 0.00 -0.05 0.00 0.00 56.93 56.58 2daf s PHE 88 Cb -0.16 0.40 -0.02 0.00 -0.63 0.00 0.00 43.02 42.61 2daf s PHE 88 CO 0.06 -0.88 -0.03 0.45 -0.05 0.00 0.00 175.22 174.77 2daf s SER 89 N -2.85 4.52 0.40 1.98 0.15 -1.26 -1.67 113.70 114.97 2daf s SER 89 Ca 0.07 -0.29 0.10 0.00 0.70 0.00 0.00 55.95 56.53 2daf s SER 89 Cb -0.01 -1.76 0.90 0.00 -1.71 0.00 0.00 66.02 63.44 2daf s SER 89 CO -0.05 0.05 1.97 0.71 1.20 0.00 0.00 173.24 177.11 2daf h THR 90 N 5.51 0.95 -3.16 6.45 1.35 -1.85 -3.22 112.91 118.94 2daf h THR 90 Ca -0.37 -0.19 -0.67 0.00 -0.55 0.00 0.00 66.41 64.63 2daf h THR 90 Cb 1.18 0.33 -0.38 0.00 -1.73 0.00 0.00 68.15 67.54 2daf h THR 90 CO 0.60 0.10 -0.30 0.59 -0.25 0.00 0.00 175.52 176.26 2daf n ASN 91 N -4.48 3.73 0.27 5.36 4.13 -1.26 -4.88 115.26 118.12 2daf n ASN 91 Ca 0.10 -3.19 0.17 0.00 1.68 0.00 0.00 54.58 53.35 2daf n ASN 91 Cb 0.31 -0.91 0.69 0.00 -1.54 0.00 0.00 39.78 38.33 2daf n ASN 91 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2daf h PRO 92 N 5.63 0.00 0.06 3.52 0.13 -1.76 0.21 132.00 139.79 2daf h PRO 92 Ca 0.16 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.05 2daf h PRO 92 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 2daf h PRO 92 CO 0.81 0.00 -1.06 -0.44 -0.23 0.00 0.00 178.00 177.07 2daf h ASP 93 N 0.00 0.40 0.03 1.44 3.32 -1.92 -2.91 116.42 116.78 2daf h ASP 93 Ca 0.00 -0.37 -0.33 0.00 0.02 0.00 0.00 57.03 56.35 2daf h ASP 93 Cb 0.47 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 2daf h ASP 93 CO 0.00 1.23 -1.83 0.18 -1.72 0.00 0.00 179.24 177.09 2daf n LEU 94 N -3.61 2.15 -3.52 1.55 4.77 -1.09 -4.76 117.00 112.49 2daf n LEU 94 Ca -0.06 0.31 -0.27 0.00 -0.03 0.00 0.00 56.01 55.95 2daf n LEU 94 Cb 0.92 -0.96 -0.10 0.00 -2.33 0.00 0.00 43.42 40.95 2daf n LEU 94 CO 0.51 0.53 -0.21 -1.22 -1.33 0.00 0.00 177.39 175.68 2daf n TYR 95 N -4.08 0.68 -2.26 -1.77 4.01 0.72 -5.12 117.16 109.34 2daf n TYR 95 Ca -0.39 -3.69 -0.35 0.00 -0.16 0.00 0.00 57.90 53.31 2daf n TYR 95 Cb 0.84 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.74 2daf n TYR 95 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2daf s PRO 96 N -0.72 3.41 0.48 -0.72 0.04 -1.10 -4.38 135.00 132.02 2daf s PRO 96 Ca 0.31 1.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 2daf s PRO 96 Cb 0.04 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 2daf s PRO 96 CO -0.17 -0.80 0.89 0.08 0.04 0.00 0.00 177.00 177.04 2daf s VAL 97 N -1.74 4.70 -0.03 -0.36 1.01 -1.26 -4.95 120.40 117.76 2daf s VAL 97 Ca 0.71 0.83 -0.07 0.00 0.00 0.00 0.00 61.98 63.45 2daf s VAL 97 Cb -0.24 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.38 2daf s VAL 97 CO 0.28 -0.71 0.17 0.00 0.00 0.00 0.00 175.10 174.84 2daf s ARG 98 N -4.22 0.37 1.15 2.72 1.70 -1.26 -4.93 118.95 114.49 2daf s ARG 98 Ca 0.54 -0.08 -0.18 0.00 -0.47 0.00 0.00 55.73 55.54 2daf s ARG 98 Cb -0.10 0.16 0.17 0.00 -0.57 0.00 0.00 34.95 34.61 2daf s ARG 98 CO 0.36 -0.08 0.29 2.89 -1.08 0.00 0.00 175.30 177.68 2daf n ARG 99 N 2.15 -2.15 -4.31 3.89 0.00 -1.26 -4.96 116.66 110.03 2daf n ARG 99 Ca -0.18 -0.62 -0.21 0.00 -0.00 0.00 0.00 57.85 56.84 2daf n ARG 99 Cb 0.57 -1.77 -0.16 0.00 -0.00 0.00 0.00 32.46 31.09 2daf n ARG 99 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2daf s ILE 100 N -2.23 0.73 0.14 8.89 1.01 -1.26 -5.02 121.20 123.46 2daf s ILE 100 Ca 0.57 -0.24 -0.23 0.00 0.00 0.00 0.00 60.65 60.75 2daf s ILE 100 Cb -0.14 -0.71 -0.08 0.00 0.01 0.00 0.00 42.46 41.54 2daf s ILE 100 CO 0.62 0.27 0.71 -1.81 0.00 0.00 0.00 174.94 174.72 2daf s ASP 101 N 0.81 7.28 0.00 3.58 1.01 -1.26 -4.80 116.67 123.28 2daf s ASP 101 Ca -0.13 1.52 0.00 0.00 0.71 0.00 0.00 52.55 54.65 2daf s ASP 101 Cb -0.15 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2daf s ASP 101 CO 0.01 0.22 0.00 0.61 0.21 0.00 0.00 175.17 176.23 2daf n GLY 102 N 1.59 0.40 3.49 0.21 0.00 -1.26 -5.18 105.19 104.44 2daf n GLY 102 Ca -0.07 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.44 -0.55 0.99 2.96 -1.26 -5.10 118.68 115.29 2daf s LEU 103 Ca 0.00 0.06 -0.36 0.00 -0.22 0.00 0.00 54.13 53.61 2daf s LEU 103 Cb 0.00 2.20 -0.15 0.00 0.50 0.00 0.00 46.19 48.74 2daf s LEU 103 CO 0.00 -0.70 2.31 0.41 -1.32 0.00 0.00 176.35 177.05 2daf n THR 104 N -0.16 0.07 -3.61 3.68 -1.04 -1.26 -4.82 114.28 107.13 2daf n THR 104 Ca -0.12 -0.20 -0.01 0.00 -2.04 0.00 0.00 64.05 61.69 2daf n THR 104 Cb 0.62 -1.22 -0.01 0.00 -1.82 0.00 0.00 70.33 67.90 2daf n THR 104 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2daf s ASP 105 N 7.89 -0.10 -0.11 8.00 2.15 -1.26 -5.12 116.67 128.12 2daf s ASP 105 Ca 1.17 -0.09 -0.30 0.00 0.43 0.00 0.00 52.55 53.76 2daf s ASP 105 Cb -1.04 0.17 -0.14 0.00 -0.30 0.00 0.00 42.92 41.61 2daf s ASP 105 CO 0.51 -0.30 0.86 1.33 -0.17 0.00 0.00 175.17 177.41 2daf n VAL 106 N -0.32 0.00 -4.29 1.11 0.24 -1.26 -4.93 118.33 108.87 2daf n VAL 106 Ca -0.05 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.09 2daf n VAL 106 Cb 0.61 -0.11 -0.05 0.00 -1.47 0.00 0.00 33.84 32.82 2daf n VAL 106 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2daf n SER 107 N 1.58 0.42 -4.55 -1.34 3.41 -1.26 -5.12 113.62 106.76 2daf n SER 107 Ca 0.16 -2.57 -0.24 0.00 -0.26 0.00 0.00 58.87 55.97 2daf n SER 107 Cb 0.03 0.94 -0.09 0.00 -0.26 0.00 0.00 64.21 64.83 2daf n SER 107 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2daf s GLN 108 N -3.05 1.95 0.10 4.33 0.74 -1.26 -5.14 119.66 117.33 2daf s GLN 108 Ca 0.21 -1.56 0.02 0.00 0.05 0.00 0.00 55.36 54.08 2daf s GLN 108 Cb 0.01 -1.97 -0.04 0.00 1.10 0.00 0.00 33.01 32.11 2daf s GLN 108 CO 0.15 0.36 0.20 0.96 -0.55 0.00 0.00 175.29 176.41 2daf s ILE 109 N -2.30 5.12 -0.08 -2.34 -4.36 -1.26 -5.10 121.20 110.88 2daf s ILE 109 Ca 0.29 -0.63 -0.32 0.00 -0.26 0.00 0.00 60.65 59.74 2daf s ILE 109 Cb -0.06 -3.55 0.13 0.00 1.25 0.00 0.00 42.46 40.23 2daf s ILE 109 CO 0.17 0.04 1.24 -0.51 0.24 0.00 0.00 174.94 176.12 2daf s ILE 110 N -1.59 0.00 -0.92 8.37 2.07 -1.26 -5.08 121.20 122.79 2daf s ILE 110 Ca 0.33 -0.15 -0.26 0.00 -1.41 0.00 0.00 60.65 59.16 2daf s ILE 110 Cb -0.12 -1.60 -0.22 0.00 0.13 0.00 0.00 42.46 40.65 2daf s ILE 110 CO 0.27 0.00 2.55 0.35 -1.91 0.00 0.00 174.94 176.19 2daf n THR 111 N -0.33 -0.01 -3.70 4.00 -2.24 -1.26 -4.84 114.28 105.89 2daf n THR 111 Ca -0.05 -0.23 -0.11 0.00 -2.27 0.00 0.00 64.05 61.39 2daf n THR 111 Cb 0.61 -0.80 -0.11 0.00 -2.10 0.00 0.00 70.33 67.92 2daf n THR 111 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2daf s VAL 112 N 8.09 -0.03 1.00 2.28 0.11 -1.26 -5.16 120.40 125.42 2daf s VAL 112 Ca 1.28 0.11 -0.12 0.00 -2.93 0.00 0.00 61.98 60.32 2daf s VAL 112 Cb -0.98 -0.56 0.19 0.00 -1.53 0.00 0.00 36.38 33.50 2daf s VAL 112 CO 0.45 0.04 1.08 -0.94 -3.33 0.00 0.00 175.10 172.41 2daf s SER 113 N 1.38 2.47 0.00 3.54 1.04 -1.26 -4.67 113.70 116.20 2daf s SER 113 Ca -0.09 1.56 0.00 0.00 0.48 0.00 0.00 55.95 57.89 2daf s SER 113 Cb -0.09 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.81 2daf s SER 113 CO -0.12 -3.28 0.00 0.61 0.98 0.00 0.00 173.24 171.43 2daf n GLY 114 N -0.32 0.21 0.22 7.32 0.00 -1.26 -5.00 105.19 106.35 2daf n GLY 114 Ca 0.06 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.63 2daf n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2daf h PRO 115 N 0.00 0.49 -7.31 1.61 0.13 -2.05 -3.45 132.00 121.43 2daf h PRO 115 Ca 0.00 -0.26 -0.44 0.00 -0.87 0.00 0.00 66.00 64.42 2daf h PRO 115 Cb 0.68 0.01 0.17 0.00 0.13 0.00 0.00 31.00 31.99 2daf h PRO 115 CO 0.00 0.84 0.14 0.45 -0.23 0.00 0.00 178.00 179.20 2daf s SER 116 N -6.87 2.04 -0.30 1.44 0.15 -1.26 -5.07 113.70 103.84 2daf s SER 116 Ca -0.07 1.21 -0.16 0.00 0.70 0.00 0.00 55.95 57.63 2daf s SER 116 Cb 0.12 -1.89 0.18 0.00 -1.71 0.00 0.00 66.02 62.72 2daf s SER 116 CO 0.82 -3.50 1.12 -0.55 1.20 0.00 0.00 173.24 172.33 2daf s SER 117 N -3.25 -0.30 0.00 5.45 0.15 -1.26 -5.22 113.70 109.27 2daf s SER 117 Ca 0.66 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.78 2daf s SER 117 Cb -0.20 1.18 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 2daf s SER 117 CO 0.59 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.57