#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2daf s SER 2 N 0.00 3.02 0.17 1.61 0.01 -1.26 -5.12 113.70 112.14 2daf s SER 2 Ca 0.00 -0.48 -0.29 0.00 1.31 0.00 0.00 55.95 56.49 2daf s SER 2 Cb 0.00 -0.45 -0.07 0.00 0.21 0.00 0.00 66.02 65.70 2daf s SER 2 CO 0.00 0.30 0.92 -0.44 0.41 0.00 0.00 173.24 174.43 2daf s SER 3 N -0.50 7.54 0.00 2.44 0.01 -1.26 -5.02 113.70 116.91 2daf s SER 3 Ca 0.07 1.83 0.00 0.00 1.31 0.00 0.00 55.95 59.16 2daf s SER 3 Cb -0.11 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2daf s SER 3 CO 0.00 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.33 2daf n GLY 4 N 1.84 1.38 3.01 3.44 0.00 -1.26 -5.17 105.19 108.42 2daf n GLY 4 Ca -0.01 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 0.73 0.22 1.61 0.15 -1.26 -5.15 113.70 110.00 2daf s SER 5 Ca 0.00 -0.30 -0.10 0.00 0.70 0.00 0.00 55.95 56.25 2daf s SER 5 Cb 0.00 -0.02 0.04 0.00 -1.71 0.00 0.00 66.02 64.33 2daf s SER 5 CO 0.00 -0.05 0.52 -1.54 1.20 0.00 0.00 173.24 173.37 2daf n SER 6 N 2.30 -1.37 -4.09 5.45 3.41 -1.26 -5.17 113.62 112.88 2daf n SER 6 Ca -0.17 -1.92 -0.24 0.00 -0.26 0.00 0.00 58.87 56.29 2daf n SER 6 Cb 0.57 2.28 -0.16 0.00 -0.26 0.00 0.00 64.21 66.64 2daf n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2daf s GLY 7 N -2.40 0.76 0.46 5.00 0.00 -1.26 -5.15 107.32 104.73 2daf s GLY 7 Ca 0.11 -0.56 0.03 0.00 0.00 0.00 0.00 44.72 44.29 2daf s GLY 7 CO 0.07 -0.31 0.03 1.20 0.00 0.00 0.00 173.10 174.09 2daf s GLN 8 N 0.01 2.07 0.19 2.90 1.11 -1.26 -5.12 119.66 119.55 2daf s GLN 8 Ca -0.02 -2.27 -0.30 0.00 0.01 0.00 0.00 55.36 52.78 2daf s GLN 8 Cb -0.09 -1.38 -0.08 0.00 -1.01 0.00 0.00 33.01 30.45 2daf s GLN 8 CO 0.01 -0.29 0.99 -1.21 0.01 0.00 0.00 175.29 174.80 2daf s GLU 9 N -3.82 4.74 0.19 2.91 0.41 -1.26 -4.97 118.70 116.90 2daf s GLU 9 Ca 0.17 1.55 -0.32 0.00 -0.41 0.00 0.00 54.97 55.96 2daf s GLU 9 Cb 0.04 -3.30 -0.16 0.00 -1.78 0.00 0.00 34.13 28.93 2daf s GLU 9 CO 0.09 0.31 1.05 0.43 -0.49 0.00 0.00 175.26 176.64 2daf n SER 10 N 2.07 0.93 -0.11 -0.19 7.64 -1.26 -4.92 113.62 117.77 2daf n SER 10 Ca 0.00 1.15 -0.19 0.00 1.01 0.00 0.00 58.87 60.85 2daf n SER 10 Cb 0.47 -1.18 -0.06 0.00 -1.01 0.00 0.00 64.21 62.43 2daf n SER 10 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2daf n VAL 11 N 1.08 1.51 -4.28 0.44 0.31 -1.26 -4.99 118.33 111.14 2daf n VAL 11 Ca 0.15 -0.10 -0.36 0.00 -0.01 0.00 0.00 64.34 64.02 2daf n VAL 11 Cb 0.25 -2.14 -0.05 0.00 -0.91 0.00 0.00 33.84 30.99 2daf n VAL 11 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2daf n GLU 12 N -4.36 -2.30 0.00 5.55 1.02 -1.26 -4.78 120.64 114.50 2daf n GLU 12 Ca -0.33 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2daf n GLU 12 Cb 0.69 -4.74 0.00 0.00 -0.02 0.00 0.00 31.44 27.37 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 -2.68 4.17 -2.53 1.62 2.03 -1.26 -4.83 116.55 113.06 2daf n ASP 13 Ca -0.02 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.12 2daf n ASP 13 Cb 0.53 0.13 0.02 0.00 -0.72 0.00 0.00 41.12 41.08 2daf n ASP 13 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2daf n SER 14 N -2.34 3.16 -4.53 1.67 7.64 -1.26 -4.93 113.62 113.03 2daf n SER 14 Ca 0.00 -3.15 -0.35 0.00 1.01 0.00 0.00 58.87 56.38 2daf n SER 14 Cb 0.49 -0.47 -0.11 0.00 -1.01 0.00 0.00 64.21 63.10 2daf n SER 14 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2daf s LEU 15 N -3.43 3.54 -0.08 -3.43 1.43 -1.26 -3.54 118.68 111.91 2daf s LEU 15 Ca 0.38 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 2daf s LEU 15 Cb 0.41 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 2daf s LEU 15 CO -0.06 0.10 -0.01 0.00 0.23 0.00 0.00 176.35 176.61 2daf s ALA 16 N 0.80 3.24 -0.29 4.21 0.00 0.20 -2.35 121.76 127.57 2daf s ALA 16 Ca 0.02 -0.82 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 2daf s ALA 16 Cb -0.14 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.53 2daf s ALA 16 CO 0.02 0.59 1.69 0.99 0.00 0.00 0.00 175.76 179.05 2daf s THR 17 N -0.88 3.60 -0.39 0.00 2.01 0.10 -2.80 115.64 117.27 2daf s THR 17 Ca 0.13 0.64 -0.02 0.00 0.31 0.00 0.00 61.69 62.75 2daf s THR 17 Cb -0.11 -3.71 0.11 0.00 0.01 0.00 0.00 72.50 68.79 2daf s THR 17 CO 0.02 -0.39 0.17 -0.69 -0.69 0.00 0.00 174.62 173.05 2daf s VAL 18 N 6.02 3.15 -0.17 3.82 1.01 -1.24 -2.14 120.40 130.85 2daf s VAL 18 Ca 0.75 -2.05 -0.29 0.00 0.00 0.00 0.00 61.98 60.39 2daf s VAL 18 Cb -0.23 -3.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 2daf s VAL 18 CO 0.32 -0.65 1.05 -0.54 0.00 0.00 0.00 175.10 175.29 2daf s LYS 19 N 1.12 4.33 -0.13 2.72 1.02 -1.14 -3.76 119.74 123.89 2daf s LYS 19 Ca 0.08 1.41 -0.05 0.00 0.02 0.00 0.00 55.97 57.43 2daf s LYS 19 Cb -0.22 -3.61 -0.04 0.00 -0.52 0.00 0.00 37.83 33.44 2daf s LYS 19 CO -0.04 -0.50 0.06 0.08 -0.92 0.00 0.00 175.35 174.02 2daf s VAL 20 N 2.71 4.82 -0.09 3.17 1.01 0.62 -1.41 120.40 131.23 2daf s VAL 20 Ca 0.47 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.43 2daf s VAL 20 Cb -0.17 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.12 2daf s VAL 20 CO 0.12 0.56 -0.15 -0.69 0.00 0.00 0.00 175.10 174.94 2daf s VAL 21 N -0.48 1.42 -0.03 2.92 1.01 -0.20 -0.16 120.40 124.89 2daf s VAL 21 Ca 0.10 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 2daf s VAL 21 Cb -0.12 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 2daf s VAL 21 CO 0.02 0.42 1.11 -0.76 0.00 0.00 0.00 175.10 175.90 2daf s LEU 22 N 0.75 4.31 -0.04 3.92 1.43 -0.37 -1.38 118.68 127.30 2daf s LEU 22 Ca -0.12 1.77 -0.17 0.00 -1.03 0.00 0.00 54.13 54.58 2daf s LEU 22 Cb -0.16 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.39 2daf s LEU 22 CO 0.02 -0.46 0.72 0.40 0.23 0.00 0.00 176.35 177.26 2daf h ILE 23 N 4.88 0.24 0.00 -0.59 1.08 -1.66 1.01 117.51 122.47 2daf h ILE 23 Ca -0.36 -0.73 -0.08 0.00 -0.39 0.00 0.00 64.86 63.29 2daf h ILE 23 Cb 1.18 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 35.32 2daf h ILE 23 CO 0.83 0.06 -0.38 1.55 -0.69 0.00 0.00 178.15 179.53 2daf h PRO 24 N -1.06 0.00 0.00 2.37 0.13 -1.92 -3.33 132.00 128.20 2daf h PRO 24 Ca -0.05 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.86 2daf h PRO 24 Cb 0.45 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.55 2daf h PRO 24 CO 0.08 0.38 -1.48 0.28 -0.23 0.00 0.00 178.00 177.02 2daf n VAL 25 N -3.75 1.50 -0.15 1.56 0.31 -1.25 -5.01 118.33 111.54 2daf n VAL 25 Ca -0.01 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2daf n VAL 25 Cb 0.46 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.28 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 1.42 0.58 3.80 2.92 0.00 0.35 -4.99 105.19 109.27 2daf n GLY 26 Ca -0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 3.68 -0.12 1.61 0.74 -1.26 -4.65 119.66 118.85 2daf s GLN 27 Ca 0.00 1.26 -0.04 0.00 0.05 0.00 0.00 55.36 56.63 2daf s GLN 27 Cb 0.00 -2.08 -0.04 0.00 1.10 0.00 0.00 33.01 31.99 2daf s GLN 27 CO 0.00 -0.52 0.04 -1.21 -0.55 0.00 0.00 175.29 173.05 2daf s GLU 28 N -3.58 3.40 -0.06 1.67 2.02 -1.26 -1.24 118.70 119.65 2daf s GLU 28 Ca 0.65 -0.36 0.01 0.00 0.02 0.00 0.00 54.97 55.29 2daf s GLU 28 Cb -0.15 -2.98 0.02 0.00 0.10 0.00 0.00 34.13 31.12 2daf s GLU 28 CO 0.26 0.55 -0.05 0.42 0.02 0.00 0.00 175.26 176.46 2daf s ILE 29 N -0.45 0.64 -0.23 -1.63 1.01 0.78 -4.99 121.20 116.33 2daf s ILE 29 Ca 0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 2daf s ILE 29 Cb -0.12 -0.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 2daf s ILE 29 CO 0.02 0.26 -0.00 -0.69 0.00 0.00 0.00 174.94 174.53 2daf s VAL 30 N 1.16 3.75 -0.03 2.92 1.01 -1.26 -0.28 120.40 127.67 2daf s VAL 30 Ca -0.07 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 2daf s VAL 30 Cb -0.14 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.53 2daf s VAL 30 CO -0.01 0.39 0.07 -0.51 0.00 0.00 0.00 175.10 175.04 2daf s ILE 31 N 1.48 -0.02 -0.03 2.22 2.07 -1.25 -5.04 121.20 120.63 2daf s ILE 31 Ca 0.06 0.06 -0.30 0.00 -1.41 0.00 0.00 60.65 59.06 2daf s ILE 31 Cb -0.15 -0.12 -0.05 0.00 0.13 0.00 0.00 42.46 42.27 2daf s ILE 31 CO -0.00 0.03 1.48 -2.16 -1.91 0.00 0.00 174.94 172.37 2daf s PRO 32 N 0.37 4.24 0.10 3.50 0.04 -1.26 -3.65 135.00 138.34 2daf s PRO 32 Ca -0.03 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.08 2daf s PRO 32 Cb -0.04 -3.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 2daf s PRO 32 CO -0.01 -0.69 -0.12 0.12 0.04 0.00 0.00 177.00 176.34 2daf s PHE 33 N 3.07 1.19 0.21 0.56 5.36 -1.12 -4.99 117.98 122.26 2daf s PHE 33 Ca 0.66 -0.59 -0.08 0.00 -0.96 0.00 0.00 56.93 55.97 2daf s PHE 33 Cb -0.31 -0.64 -0.07 0.00 -0.34 0.00 0.00 43.02 41.66 2daf s PHE 33 CO 0.26 0.06 0.50 -1.59 -1.46 0.00 0.00 175.22 172.99 2daf s LYS 34 N -2.57 3.73 0.10 10.12 0.00 -1.26 0.58 119.74 130.45 2daf s LYS 34 Ca 0.05 0.14 0.24 0.00 0.00 0.00 0.00 55.97 56.40 2daf s LYS 34 Cb -0.05 -2.71 0.33 0.00 0.00 0.00 0.00 37.83 35.40 2daf s LYS 34 CO 0.01 0.35 1.30 1.33 0.00 0.00 0.00 175.35 178.34 2daf n VAL 35 N -0.15 0.31 0.04 1.79 0.24 -1.23 -3.89 118.33 115.42 2daf n VAL 35 Ca -0.01 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.34 61.94 2daf n VAL 35 Cb 0.52 -0.07 -0.13 0.00 -1.47 0.00 0.00 33.84 32.69 2daf n VAL 35 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2daf h ASP 36 N 0.00 0.13 -3.55 -1.34 1.82 -1.92 -1.58 116.42 109.97 2daf h ASP 36 Ca 0.00 -0.18 -0.52 0.00 -0.39 0.00 0.00 57.03 55.94 2daf h ASP 36 Cb 0.73 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.67 2daf h ASP 36 CO 0.00 1.15 0.22 -0.89 -1.61 0.00 0.00 179.24 178.11 2daf s THR 37 N -2.65 4.36 1.15 2.25 2.01 -1.25 -4.88 115.64 116.64 2daf s THR 37 Ca -0.04 1.78 -0.17 0.00 0.31 0.00 0.00 61.69 63.57 2daf s THR 37 Cb 0.08 -4.18 0.22 0.00 0.01 0.00 0.00 72.50 68.63 2daf s THR 37 CO 0.83 0.49 0.43 2.30 -0.69 0.00 0.00 174.62 177.99 2daf n ILE 38 N 1.77 0.00 0.72 1.82 -5.35 -1.26 -4.22 119.36 112.84 2daf n ILE 38 Ca -0.04 -0.10 0.12 0.00 -0.27 0.00 0.00 62.75 62.46 2daf n ILE 38 Cb 0.49 -0.66 0.28 0.00 -1.74 0.00 0.00 39.64 38.01 2daf n ILE 38 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2daf n LEU 39 N -2.62 0.59 0.23 7.28 4.77 -0.88 -4.08 117.00 122.29 2daf n LEU 39 Ca 0.06 0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 56.17 2daf n LEU 39 Cb 0.47 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 41.22 2daf n LEU 39 CO 0.35 -0.03 0.63 0.50 -1.33 0.00 0.00 177.39 177.50 2daf h LYS 40 N 0.00 -0.55 -0.80 3.23 3.64 -1.80 -2.38 116.57 117.90 2daf h LYS 40 Ca 0.00 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.55 2daf h LYS 40 Cb 0.66 0.12 -0.13 0.00 -0.41 0.00 0.00 32.23 32.48 2daf h LYS 40 CO 0.00 -0.29 -0.30 0.66 -2.27 0.00 0.00 179.45 177.26 2daf n TYR 41 N -5.27 0.07 -0.22 1.91 4.02 -1.26 0.16 117.16 116.56 2daf n TYR 41 Ca -0.11 0.99 -0.08 0.00 -0.01 0.00 0.00 57.90 58.68 2daf n TYR 41 Cb 0.27 -0.83 0.03 0.00 -0.02 0.00 0.00 39.34 38.80 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 0.99 -0.56 7.72 5.85 -1.78 -3.01 115.31 124.52 2daf h LEU 42 Ca 0.30 -0.26 0.11 0.00 0.84 0.00 0.00 57.88 58.87 2daf h LEU 42 Cb 0.50 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.17 2daf h LEU 42 CO -0.80 0.99 -0.02 0.50 -0.34 0.00 0.00 178.44 178.77 2daf h LYS 43 N 0.94 0.10 -0.57 1.25 3.64 0.20 -0.78 116.57 121.35 2daf h LYS 43 Ca 0.19 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.63 2daf h LYS 43 Cb 0.42 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.16 2daf h LYS 43 CO 0.01 0.06 0.26 0.22 -2.27 0.00 0.00 179.45 177.73 2daf h ASP 44 N 0.10 0.33 -1.20 4.20 1.82 -1.09 0.90 116.42 121.48 2daf h ASP 44 Ca 0.28 0.05 0.37 0.00 -0.39 0.00 0.00 57.03 57.34 2daf h ASP 44 Cb 0.44 -0.00 -0.12 0.00 0.68 0.00 0.00 39.33 40.33 2daf h ASP 44 CO -0.49 0.22 0.77 -0.74 -1.61 0.00 0.00 179.24 177.39 2daf h HIS 45 N 0.48 0.59 0.00 0.28 2.76 -1.10 -1.16 115.15 117.01 2daf h HIS 45 Ca 0.27 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.33 2daf h HIS 45 Cb 0.25 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 2daf h HIS 45 CO -0.13 -0.11 -0.99 1.19 -1.30 0.00 0.00 177.93 176.59 2daf n PHE 46 N -4.69 0.91 -0.28 5.26 3.01 -0.51 -3.30 117.46 117.86 2daf n PHE 46 Ca 0.33 0.40 0.25 0.00 1.01 0.00 0.00 57.45 59.43 2daf n PHE 46 Cb 1.21 -0.94 0.46 0.00 -0.01 0.00 0.00 39.48 40.20 2daf n PHE 46 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2daf n SER 47 N -4.50 0.23 -0.01 4.37 3.41 0.19 0.27 113.62 117.58 2daf n SER 47 Ca -0.22 1.43 -0.09 0.00 -0.26 0.00 0.00 58.87 59.73 2daf n SER 47 Cb 0.51 -0.67 -0.07 0.00 -0.26 0.00 0.00 64.21 63.72 2daf n SER 47 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 2daf h HIS 48 N 0.00 -0.09 0.26 7.33 2.07 -1.41 0.15 115.15 123.46 2daf h HIS 48 Ca 0.69 -0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 58.21 2daf h HIS 48 Cb 1.79 0.03 -0.02 0.00 2.57 0.00 0.00 27.41 31.77 2daf h HIS 48 CO -0.08 0.40 -0.39 1.25 -3.07 0.00 0.00 177.93 176.04 2daf h LEU 49 N -0.95 -1.11 -2.11 6.12 7.12 -0.49 -0.77 115.31 123.13 2daf h LEU 49 Ca -0.01 0.10 0.06 0.00 0.13 0.00 0.00 57.88 58.16 2daf h LEU 49 Cb 0.52 0.38 -0.01 0.00 -0.53 0.00 0.00 40.66 41.03 2daf h LEU 49 CO 0.02 -0.47 0.32 -0.07 -0.13 0.00 0.00 178.44 178.11 2daf h LEU 50 N -0.68 0.00 -0.41 2.25 3.38 -0.36 -3.45 115.31 116.05 2daf h LEU 50 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2daf h LEU 50 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2daf h LEU 50 CO -0.12 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.02 2daf n GLY 51 N -1.38 0.63 3.02 0.83 0.00 -0.29 -4.88 105.19 103.12 2daf n GLY 51 Ca 0.03 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.41 0.26 0.15 -0.61 -4.36 0.50 -5.02 121.20 109.72 2daf s ILE 52 Ca 0.00 -1.04 -0.31 0.00 -0.26 0.00 0.00 60.65 59.04 2daf s ILE 52 Cb 0.00 -0.48 -0.08 0.00 1.25 0.00 0.00 42.46 43.15 2daf s ILE 52 CO 0.00 -0.50 1.34 -2.16 0.24 0.00 0.00 174.94 173.85 2daf s PRO 53 N -1.71 4.36 0.23 0.37 0.04 -1.26 -4.25 135.00 132.78 2daf s PRO 53 Ca -0.12 2.04 0.13 0.00 0.04 0.00 0.00 61.00 63.09 2daf s PRO 53 Cb -0.08 -3.23 0.70 0.00 0.04 0.00 0.00 34.50 31.92 2daf s PRO 53 CO -0.01 -0.34 1.34 -2.39 0.04 0.00 0.00 177.00 175.63 2daf n HIS 54 N 3.37 0.44 0.32 0.56 1.44 -1.26 -2.33 115.22 117.76 2daf n HIS 54 Ca 0.09 0.23 -0.17 0.00 -2.01 0.00 0.00 57.72 55.85 2daf n HIS 54 Cb 0.43 -0.78 -0.09 0.00 0.12 0.00 0.00 29.99 29.67 2daf n HIS 54 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2daf h SER 55 N 0.00 -1.03 0.63 4.39 4.64 -2.01 -2.84 113.55 117.33 2daf h SER 55 Ca 0.00 0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 61.27 2daf h SER 55 Cb 0.23 0.32 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 2daf h SER 55 CO 0.00 -0.59 -0.57 -0.37 -0.87 0.00 0.00 176.83 174.42 2daf h VAL 56 N -0.93 1.36 -3.59 0.95 -1.51 -1.87 -3.44 116.25 107.23 2daf h VAL 56 Ca -0.06 -1.99 -0.51 0.00 -1.23 0.00 0.00 66.70 62.90 2daf h VAL 56 Cb 0.77 2.09 -0.02 0.00 -2.13 0.00 0.00 31.29 32.01 2daf h VAL 56 CO 0.03 0.56 0.38 -0.22 -1.23 0.00 0.00 177.57 177.09 2daf s LEU 57 N -7.57 4.52 0.12 4.19 2.96 -1.07 -0.41 118.68 121.41 2daf s LEU 57 Ca -0.01 1.85 -0.00 0.00 -0.22 0.00 0.00 54.13 55.75 2daf s LEU 57 Cb 0.13 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 2daf s LEU 57 CO 0.75 -0.06 0.02 -1.10 -1.32 0.00 0.00 176.35 174.64 2daf s GLN 58 N -0.20 0.90 -0.06 1.98 -1.52 -0.74 -4.81 119.66 115.23 2daf s GLN 58 Ca 0.47 -1.41 0.05 0.00 -1.95 0.00 0.00 55.36 52.51 2daf s GLN 58 Cb -0.24 0.08 -0.01 0.00 -0.22 0.00 0.00 33.01 32.62 2daf s GLN 58 CO 0.31 -0.19 -0.23 0.42 -0.25 0.00 0.00 175.29 175.36 2daf s ILE 59 N -3.90 1.88 -0.14 1.08 1.01 -1.26 -2.90 121.20 116.96 2daf s ILE 59 Ca 0.20 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 2daf s ILE 59 Cb 0.07 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 2daf s ILE 59 CO -0.00 0.53 -0.10 -0.60 0.00 0.00 0.00 174.94 174.76 2daf s ARG 60 N 0.01 3.44 -0.07 2.79 3.52 -0.77 -2.17 118.95 125.70 2daf s ARG 60 Ca -0.07 -0.65 0.02 0.00 -0.13 0.00 0.00 55.73 54.90 2daf s ARG 60 Cb -0.14 -2.72 0.02 0.00 -1.56 0.00 0.00 34.95 30.54 2daf s ARG 60 CO 0.04 0.18 -0.10 -0.47 -0.81 0.00 0.00 175.30 174.14 2daf s TYR 61 N 0.47 1.35 -1.85 5.12 5.04 0.39 -2.47 117.35 125.40 2daf s TYR 61 Ca -0.08 -0.51 0.00 0.00 -2.44 0.00 0.00 57.07 54.04 2daf s TYR 61 Cb -0.15 -1.03 0.00 0.00 0.35 0.00 0.00 41.96 41.13 2daf s TYR 61 CO 0.04 -0.30 0.00 0.45 -1.34 0.00 0.00 175.55 174.41 2daf n SER 62 N 4.01 -5.30 0.00 4.32 2.88 -1.26 -0.44 113.62 117.83 2daf n SER 62 Ca -0.22 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2daf n SER 62 Cb 0.51 -4.57 0.00 0.00 -0.75 0.00 0.00 64.21 59.41 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 -0.66 2.08 3.95 0.46 0.00 -1.26 -5.03 105.19 104.73 2daf n GLY 63 Ca -0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.43 3.07 -0.41 1.61 -2.85 0.42 -5.07 119.74 116.09 2daf s LYS 64 Ca 0.00 -0.48 -0.12 0.00 -1.00 0.00 0.00 55.97 54.37 2daf s LYS 64 Cb 0.00 -2.56 0.05 0.00 -2.06 0.00 0.00 37.83 33.26 2daf s LYS 64 CO 0.00 -0.26 0.26 0.42 0.10 0.00 0.00 175.35 175.87 2daf s ILE 65 N -2.55 4.69 1.01 3.79 -1.09 -1.26 -0.46 121.20 125.33 2daf s ILE 65 Ca 0.48 -1.01 -0.16 0.00 -2.23 0.00 0.00 60.65 57.73 2daf s ILE 65 Cb -0.10 -3.71 0.21 0.00 -1.58 0.00 0.00 42.46 37.27 2daf s ILE 65 CO 0.38 -0.38 1.22 -0.76 -1.23 0.00 0.00 174.94 174.17 2daf s LEU 66 N 1.55 1.99 0.27 2.97 1.43 -0.92 -4.99 118.68 120.98 2daf s LEU 66 Ca 0.03 0.53 0.04 0.00 -1.03 0.00 0.00 54.13 53.69 2daf s LEU 66 Cb -0.21 -2.55 -0.06 0.00 0.03 0.00 0.00 46.19 43.40 2daf s LEU 66 CO 0.06 -3.06 0.02 -0.54 0.23 0.00 0.00 176.35 173.06 2daf s LYS 67 N -5.62 1.47 0.47 1.70 1.02 -1.26 -4.67 119.74 112.85 2daf s LYS 67 Ca 0.71 -1.78 0.21 0.00 0.02 0.00 0.00 55.97 55.13 2daf s LYS 67 Cb -0.08 -0.74 1.17 0.00 -0.52 0.00 0.00 37.83 37.66 2daf s LYS 67 CO 0.54 -0.13 1.99 -2.95 -0.92 0.00 0.00 175.35 173.88 2daf h ASN 68 N 2.32 0.00 1.09 2.83 -1.07 -1.99 -2.30 115.58 116.47 2daf h ASN 68 Ca -0.39 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 55.84 2daf h ASN 68 Cb 1.23 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.46 2daf h ASN 68 CO 0.66 0.19 -0.96 -1.13 0.07 0.00 0.00 177.43 176.27 2daf h ASN 69 N 0.00 0.00 -2.71 6.14 -0.73 -1.97 -3.10 115.58 113.21 2daf h ASN 69 Ca -0.00 0.00 -0.52 0.00 1.87 0.00 0.00 56.30 57.64 2daf h ASN 69 Cb 0.43 0.00 0.05 0.00 0.27 0.00 0.00 38.32 39.07 2daf h ASN 69 CO 0.03 0.56 0.98 -1.61 -0.37 0.00 0.00 177.43 177.02 2daf s GLU 70 N -2.93 4.17 0.08 6.67 0.41 -0.87 -4.80 118.70 121.43 2daf s GLU 70 Ca 0.01 2.49 0.02 0.00 -0.41 0.00 0.00 54.97 57.08 2daf s GLU 70 Cb 0.08 -3.23 -0.04 0.00 -1.78 0.00 0.00 34.13 29.16 2daf s GLU 70 CO 0.78 -0.71 0.13 0.99 -0.49 0.00 0.00 175.26 175.96 2daf s THR 71 N 1.54 4.82 0.18 3.63 2.01 -1.26 -2.08 115.64 124.48 2daf s THR 71 Ca 0.74 -0.67 -0.14 0.00 0.31 0.00 0.00 61.69 61.94 2daf s THR 71 Cb -0.46 -3.35 0.09 0.00 0.01 0.00 0.00 72.50 68.79 2daf s THR 71 CO 0.32 0.11 1.72 -0.07 -0.69 0.00 0.00 174.62 176.01 2daf h LEU 72 N 3.14 0.02 -1.39 4.42 -0.00 -1.73 -0.35 115.31 119.41 2daf h LEU 72 Ca -0.46 0.08 -0.06 0.00 -0.00 0.00 0.00 57.88 57.43 2daf h LEU 72 Cb 1.17 0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.92 2daf h LEU 72 CO 0.69 0.04 -0.30 -0.37 -0.00 0.00 0.00 178.44 178.50 2daf h VAL 73 N 0.24 1.11 0.00 1.22 -1.51 -1.44 -1.93 116.25 113.94 2daf h VAL 73 Ca 0.23 -1.07 -0.05 0.00 -1.23 0.00 0.00 66.70 64.58 2daf h VAL 73 Cb 0.29 1.60 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 2daf h VAL 73 CO -0.29 0.30 -0.21 1.56 -1.23 0.00 0.00 177.57 177.69 2daf h GLN 74 N 0.00 0.00 0.00 5.19 1.08 -1.36 -2.35 115.11 117.67 2daf h GLN 74 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2daf h GLN 74 Cb 0.57 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 2daf h GLN 74 CO 0.04 0.21 -1.18 0.72 -0.95 0.00 0.00 178.83 177.67 2daf n HIS 75 N -3.90 0.58 0.00 2.96 8.25 -0.91 -4.97 115.22 117.23 2daf n HIS 75 Ca -0.02 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 2daf n HIS 75 Cb 0.30 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 30.69 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 1.25 0.70 3.04 -1.41 0.00 -0.88 -5.12 105.19 102.77 2daf n GLY 76 Ca -0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.02 1.62 0.29 1.61 1.01 -0.78 -4.98 120.40 118.14 2daf s VAL 77 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 2daf s VAL 77 Cb 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2daf s VAL 77 CO 0.00 0.47 0.50 -1.59 0.00 0.00 0.00 175.10 174.48 2daf s LYS 78 N 1.34 3.54 0.74 2.72 -2.85 -1.26 -4.17 119.74 119.79 2daf s LYS 78 Ca 0.02 -0.24 -0.12 0.00 -1.00 0.00 0.00 55.97 54.64 2daf s LYS 78 Cb -0.13 -2.71 0.04 0.00 -2.06 0.00 0.00 37.83 32.96 2daf s LYS 78 CO -0.09 0.25 1.10 -1.25 0.10 0.00 0.00 175.35 175.46 2daf s PRO 79 N -3.78 2.43 -1.56 1.78 0.04 -1.26 -3.53 135.00 129.12 2daf s PRO 79 Ca 0.41 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2daf s PRO 79 Cb -0.10 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2daf s PRO 79 CO 0.32 -1.52 0.00 1.04 0.04 0.00 0.00 177.00 176.88 2daf n GLN 80 N -3.17 -1.31 -4.23 4.56 1.13 -0.99 -4.90 117.38 108.46 2daf n GLN 80 Ca 0.09 0.90 -0.25 0.00 -1.94 0.00 0.00 57.00 55.81 2daf n GLN 80 Cb 0.53 -5.29 -0.08 0.00 0.11 0.00 0.00 30.24 25.51 2daf n GLN 80 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2daf s GLU 81 N -4.46 2.17 -0.08 -1.09 -1.05 -1.23 -4.87 118.70 108.10 2daf s GLU 81 Ca 0.00 -1.85 0.05 0.00 -0.15 0.00 0.00 54.97 53.02 2daf s GLU 81 Cb 0.00 -1.93 -0.01 0.00 -0.44 0.00 0.00 34.13 31.75 2daf s GLU 81 CO 0.00 -0.06 -0.24 0.42 0.95 0.00 0.00 175.26 176.33 2daf s ILE 82 N -2.60 2.03 0.38 1.83 1.01 -1.26 0.02 121.20 122.61 2daf s ILE 82 Ca 0.39 -1.03 0.06 0.00 0.00 0.00 0.00 60.65 60.07 2daf s ILE 82 Cb 0.04 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.75 2daf s ILE 82 CO 0.21 0.56 0.20 1.33 0.00 0.00 0.00 174.94 177.24 2daf n VAL 83 N 3.22 0.00 -3.64 2.92 0.24 -0.91 -5.03 118.33 115.13 2daf n VAL 83 Ca -0.18 -2.40 -0.20 0.00 -2.04 0.00 0.00 64.34 59.52 2daf n VAL 83 Cb 0.52 1.00 -0.16 0.00 -1.47 0.00 0.00 33.84 33.73 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 -3.47 0.02 0.21 7.34 0.74 -1.26 -2.90 119.66 120.33 2daf s GLN 84 Ca 0.28 0.35 0.10 0.00 0.05 0.00 0.00 55.36 56.14 2daf s GLN 84 Cb 0.01 -0.72 -0.05 0.00 1.10 0.00 0.00 33.01 33.36 2daf s GLN 84 CO 0.20 -0.41 -0.18 0.14 -0.55 0.00 0.00 175.29 174.48 2daf s VAL 85 N 2.23 2.04 -0.01 1.34 -7.23 -0.50 -4.65 120.40 113.62 2daf s VAL 85 Ca 0.04 -2.14 0.08 0.00 -1.81 0.00 0.00 61.98 58.15 2daf s VAL 85 Cb -0.13 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 2daf s VAL 85 CO -0.06 -0.39 -0.24 -1.61 -0.31 0.00 0.00 175.10 172.49 2daf s GLU 86 N -3.19 1.94 -0.08 4.82 8.01 -1.03 -1.03 118.70 128.14 2daf s GLU 86 Ca 0.22 -0.89 0.04 0.00 0.01 0.00 0.00 54.97 54.35 2daf s GLU 86 Cb -0.04 -1.90 -0.01 0.00 -4.31 0.00 0.00 34.13 27.87 2daf s GLU 86 CO 0.09 0.52 -0.21 0.42 0.01 0.00 0.00 175.26 176.09 2daf s ILE 87 N -0.59 2.41 0.22 -1.63 1.01 -0.48 -1.84 121.20 120.30 2daf s ILE 87 Ca 0.09 -0.93 -0.14 0.00 0.00 0.00 0.00 60.65 59.67 2daf s ILE 87 Cb -0.09 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.46 2daf s ILE 87 CO -0.01 0.56 0.48 0.72 0.00 0.00 0.00 174.94 176.70 2daf s PHE 88 N -0.09 0.17 -0.17 3.97 -0.12 -1.14 -1.65 117.98 118.95 2daf s PHE 88 Ca -0.05 -0.54 -0.03 0.00 -0.05 0.00 0.00 56.93 56.27 2daf s PHE 88 Cb -0.14 0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.49 2daf s PHE 88 CO 0.04 -0.95 -0.06 0.45 -0.05 0.00 0.00 175.22 174.65 2daf s SER 89 N -2.96 4.44 0.26 1.98 0.15 -1.26 -1.78 113.70 114.54 2daf s SER 89 Ca 0.17 -0.26 -0.01 0.00 0.70 0.00 0.00 55.95 56.54 2daf s SER 89 Cb -0.01 -1.72 0.48 0.00 -1.71 0.00 0.00 66.02 63.06 2daf s SER 89 CO 0.04 0.11 1.82 0.71 1.20 0.00 0.00 173.24 177.12 2daf h THR 90 N 5.38 0.90 -3.08 6.45 1.35 -1.10 -3.30 112.91 119.52 2daf h THR 90 Ca -0.32 -0.30 -0.62 0.00 -0.55 0.00 0.00 66.41 64.61 2daf h THR 90 Cb 1.19 -0.05 -0.41 0.00 -1.73 0.00 0.00 68.15 67.15 2daf h THR 90 CO 0.60 0.16 -0.68 0.21 -0.25 0.00 0.00 175.52 175.56 2daf s ASN 91 N -5.63 3.99 0.15 5.36 2.47 -1.26 -4.93 114.94 115.09 2daf s ASN 91 Ca -0.12 -3.13 0.20 0.00 0.42 0.00 0.00 52.86 50.22 2daf s ASN 91 Cb 0.21 -1.34 0.83 0.00 -1.45 0.00 0.00 41.25 39.50 2daf s ASN 91 CO 0.79 -0.20 1.61 -0.81 -3.72 0.00 0.00 177.10 174.77 2daf n PRO 92 N 2.90 0.12 0.16 0.43 -0.04 -1.24 -1.86 135.00 135.46 2daf n PRO 92 Ca 0.12 0.36 0.03 0.00 -0.04 0.00 0.00 63.50 63.97 2daf n PRO 92 Cb 0.35 -1.72 0.23 0.00 -0.04 0.00 0.00 33.50 32.31 2daf n PRO 92 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2daf h ASP 93 N 0.00 0.00 0.00 3.54 3.32 -1.93 -2.99 116.42 118.36 2daf h ASP 93 Ca 0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 2daf h ASP 93 Cb 0.31 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.80 2daf h ASP 93 CO 0.00 0.48 -2.35 0.18 -1.72 0.00 0.00 179.24 175.84 2daf n LEU 94 N -3.52 1.93 -3.60 1.55 4.77 -1.02 -4.85 117.00 112.26 2daf n LEU 94 Ca -0.00 0.22 -0.28 0.00 -0.03 0.00 0.00 56.01 55.93 2daf n LEU 94 Cb 0.59 -0.73 -0.11 0.00 -2.33 0.00 0.00 43.42 40.84 2daf n LEU 94 CO 0.39 0.57 -0.21 -0.31 -1.33 0.00 0.00 177.39 176.50 2daf s TYR 95 N -2.45 2.06 0.74 -1.77 1.51 -0.78 -5.12 117.35 111.54 2daf s TYR 95 Ca -0.33 -2.70 -0.12 0.00 -1.01 0.00 0.00 57.07 52.91 2daf s TYR 95 Cb 0.12 -1.64 0.04 0.00 -0.11 0.00 0.00 41.96 40.37 2daf s TYR 95 CO 0.44 -0.72 1.10 -1.25 -1.11 0.00 0.00 175.55 174.01 2daf s PRO 96 N -0.47 2.42 -0.30 -1.71 0.04 -1.13 -4.46 135.00 129.39 2daf s PRO 96 Ca 0.29 1.24 -0.14 0.00 0.04 0.00 0.00 61.00 62.43 2daf s PRO 96 Cb -0.01 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2daf s PRO 96 CO -0.17 -1.53 0.31 0.08 0.04 0.00 0.00 177.00 175.73 2daf s VAL 97 N -2.72 5.22 0.07 -0.36 1.01 -1.26 -5.00 120.40 117.36 2daf s VAL 97 Ca 0.63 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.89 2daf s VAL 97 Cb -0.18 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2daf s VAL 97 CO 0.51 0.10 0.07 0.00 0.00 0.00 0.00 175.10 175.79 2daf s ARG 98 N 1.94 2.87 1.00 2.72 1.70 -1.26 -4.67 118.95 123.24 2daf s ARG 98 Ca 0.11 -0.68 -0.11 0.00 -0.47 0.00 0.00 55.73 54.57 2daf s ARG 98 Cb -0.16 -2.72 0.18 0.00 -0.57 0.00 0.00 34.95 31.68 2daf s ARG 98 CO 0.11 0.57 1.00 -2.13 -1.08 0.00 0.00 175.30 173.77 2daf n ARG 99 N 0.56 -1.06 -3.90 3.89 0.63 -1.26 -4.97 116.66 110.54 2daf n ARG 99 Ca -0.09 -0.26 -0.27 0.00 -0.92 0.00 0.00 57.85 56.31 2daf n ARG 99 Cb 0.52 -2.25 -0.17 0.00 0.45 0.00 0.00 32.46 31.01 2daf n ARG 99 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2daf s ILE 100 N -2.54 1.04 0.26 5.15 1.01 -1.26 -5.07 121.20 119.79 2daf s ILE 100 Ca 0.66 -0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.69 2daf s ILE 100 Cb -0.23 -1.08 -0.14 0.00 0.01 0.00 0.00 42.46 41.02 2daf s ILE 100 CO 0.61 0.34 1.04 -0.67 0.00 0.00 0.00 174.94 176.26 2daf n ASP 101 N 4.93 1.29 0.00 3.58 2.03 -1.26 -4.91 116.55 122.21 2daf n ASP 101 Ca -0.12 1.17 0.00 0.00 0.52 0.00 0.00 54.79 56.36 2daf n ASP 101 Cb 0.50 -1.27 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 2daf n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2daf n GLY 102 N 1.42 -1.84 3.42 0.27 0.00 -1.26 -5.16 105.19 102.05 2daf n GLY 102 Ca 0.11 -1.13 0.01 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.63 -0.00 0.99 2.96 -1.26 -5.17 118.68 115.57 2daf s LEU 103 Ca 0.00 0.86 0.07 0.00 -0.22 0.00 0.00 54.13 54.84 2daf s LEU 103 Cb 0.00 1.72 -0.02 0.00 0.50 0.00 0.00 46.19 48.39 2daf s LEU 103 CO 0.00 -0.12 -0.22 0.42 -1.32 0.00 0.00 176.35 175.11 2daf s THR 104 N 2.49 1.74 -0.70 3.68 -4.23 -1.26 -5.06 115.64 112.30 2daf s THR 104 Ca -0.03 -1.01 -0.26 0.00 -1.18 0.00 0.00 61.69 59.22 2daf s THR 104 Cb -0.07 -1.46 -0.09 0.00 1.34 0.00 0.00 72.50 72.22 2daf s THR 104 CO -0.18 0.43 2.28 1.51 -0.54 0.00 0.00 174.62 178.13 2daf s ASP 105 N -0.67 4.38 0.43 3.99 1.47 -1.26 -4.88 116.67 120.13 2daf s ASP 105 Ca 0.08 0.26 0.04 0.00 1.18 0.00 0.00 52.55 54.12 2daf s ASP 105 Cb -0.09 -2.54 -0.02 0.00 -0.34 0.00 0.00 42.92 39.94 2daf s ASP 105 CO -0.00 -3.26 0.16 1.33 0.68 0.00 0.00 175.17 174.07 2daf n VAL 106 N 8.25 0.00 -3.48 2.11 0.24 -1.26 -5.16 118.33 119.04 2daf n VAL 106 Ca 0.40 -2.49 -0.12 0.00 -2.04 0.00 0.00 64.34 60.09 2daf n VAL 106 Cb 0.48 0.90 -0.10 0.00 -1.47 0.00 0.00 33.84 33.65 2daf n VAL 106 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2daf s SER 107 N -3.62 0.42 0.31 -1.34 0.01 -1.26 -5.16 113.70 103.07 2daf s SER 107 Ca 0.22 0.31 0.03 0.00 1.31 0.00 0.00 55.95 57.82 2daf s SER 107 Cb 0.01 0.93 -0.02 0.00 0.21 0.00 0.00 66.02 67.15 2daf s SER 107 CO 0.16 -0.29 0.32 0.00 0.41 0.00 0.00 173.24 173.84 2daf s GLN 108 N 2.49 1.72 -0.30 12.44 -2.07 -1.26 -5.17 119.66 127.51 2daf s GLN 108 Ca 0.08 -1.88 -0.16 0.00 -1.82 0.00 0.00 55.36 51.58 2daf s GLN 108 Cb -0.14 0.35 0.17 0.00 -1.09 0.00 0.00 33.01 32.30 2daf s GLN 108 CO -0.13 -0.65 1.05 -1.50 -1.32 0.00 0.00 175.29 172.73 2daf s ILE 109 N -3.44 -0.20 -0.30 3.63 1.10 -1.26 -5.16 121.20 115.57 2daf s ILE 109 Ca 0.37 0.00 -0.16 0.00 -0.51 0.00 0.00 60.65 60.36 2daf s ILE 109 Cb 0.02 -1.00 0.16 0.00 0.15 0.00 0.00 42.46 41.79 2daf s ILE 109 CO 0.23 0.00 1.01 -0.51 -2.11 0.00 0.00 174.94 173.56 2daf s ILE 110 N 1.80 -0.26 -0.05 2.00 1.10 -1.26 -5.16 121.20 119.37 2daf s ILE 110 Ca -0.05 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.09 2daf s ILE 110 Cb -0.04 -1.00 0.02 0.00 0.15 0.00 0.00 42.46 41.59 2daf s ILE 110 CO -0.15 0.00 -0.03 0.28 -2.11 0.00 0.00 174.94 172.92 2daf s THR 111 N 1.93 0.52 -0.01 4.00 -1.32 -1.26 -5.14 115.64 114.36 2daf s THR 111 Ca -0.05 -0.07 -0.06 0.00 -1.21 0.00 0.00 61.69 60.30 2daf s THR 111 Cb -0.05 -0.58 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 2daf s THR 111 CO -0.16 0.24 0.12 0.54 -2.21 0.00 0.00 174.62 173.15 2daf s VAL 112 N 1.23 0.06 -0.30 5.08 0.11 -1.26 -5.14 120.40 120.18 2daf s VAL 112 Ca -0.06 -0.52 -0.07 0.00 -2.93 0.00 0.00 61.98 58.40 2daf s VAL 112 Cb -0.14 -0.35 0.18 0.00 -1.53 0.00 0.00 36.38 34.55 2daf s VAL 112 CO -0.02 -0.29 0.84 -0.55 -3.33 0.00 0.00 175.10 171.76 2daf s SER 113 N -0.98 -0.90 -0.40 3.54 0.15 -1.26 -5.11 113.70 108.75 2daf s SER 113 Ca -0.11 0.54 0.02 0.00 0.70 0.00 0.00 55.95 57.10 2daf s SER 113 Cb -0.06 1.74 0.15 0.00 -1.71 0.00 0.00 66.02 66.15 2daf s SER 113 CO 0.01 -0.17 0.28 -0.83 1.20 0.00 0.00 173.24 173.73 2daf s GLY 114 N 2.91 1.13 0.21 9.45 0.00 -1.26 -5.13 107.32 114.63 2daf s GLY 114 Ca 0.10 -2.24 -0.03 0.00 0.00 0.00 0.00 44.72 42.54 2daf s GLY 114 CO -0.16 2.03 0.18 -1.55 0.00 0.00 0.00 173.10 173.60 2daf n PRO 115 N 3.41 -1.39 -4.14 2.90 -0.04 -1.26 -5.10 135.00 129.38 2daf n PRO 115 Ca 0.20 -0.29 -0.14 0.00 -0.04 0.00 0.00 63.50 63.23 2daf n PRO 115 Cb 0.41 -0.28 -0.07 0.00 -0.04 0.00 0.00 33.50 33.53 2daf n PRO 115 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2daf s SER 116 N -2.01 0.63 0.29 3.54 0.15 -1.26 -5.19 113.70 109.86 2daf s SER 116 Ca 0.12 -1.40 0.02 0.00 0.70 0.00 0.00 55.95 55.40 2daf s SER 116 Cb -0.01 0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 64.84 2daf s SER 116 CO 0.09 -1.09 0.08 -1.54 1.20 0.00 0.00 173.24 171.98 2daf n SER 117 N -0.90 1.40 0.00 5.45 3.41 -1.26 -5.37 113.62 116.35 2daf n SER 117 Ca 0.02 -2.47 0.00 0.00 -0.26 0.00 0.00 58.87 56.16 2daf n SER 117 Cb 0.63 0.63 0.00 0.00 -0.26 0.00 0.00 64.21 65.21 2daf n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49