#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 1.91 0.11 1.61 0.01 -1.26 -5.15 113.70 110.93 2daf s SER 2 Ca 0.00 -0.51 0.07 0.00 1.31 0.00 0.00 55.95 56.82 2daf s SER 2 Cb 0.00 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 2daf s SER 2 CO 0.00 0.05 -0.18 -0.44 0.41 0.00 0.00 173.24 173.08 2daf s SER 3 N -1.30 2.28 0.00 2.44 0.01 -1.26 -4.94 113.70 110.93 2daf s SER 3 Ca 0.03 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.56 2daf s SER 3 Cb -0.09 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2daf s SER 3 CO 0.02 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.25 2daf n GLY 4 N 0.89 0.74 3.72 3.44 0.00 -1.26 -5.04 105.19 107.67 2daf n GLY 4 Ca -0.18 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.10 6.69 0.06 1.61 0.15 -1.26 -4.98 113.70 113.87 2daf s SER 5 Ca 0.00 2.49 -0.26 0.00 0.70 0.00 0.00 55.95 58.88 2daf s SER 5 Cb 0.00 -2.59 -0.06 0.00 -1.71 0.00 0.00 66.02 61.66 2daf s SER 5 CO 0.00 -0.75 0.80 -0.44 1.20 0.00 0.00 173.24 174.05 2daf s SER 6 N 1.11 7.27 0.00 5.45 0.01 -1.26 -5.03 113.70 121.26 2daf s SER 6 Ca 0.68 1.52 0.00 0.00 1.31 0.00 0.00 55.95 59.46 2daf s SER 6 Cb -0.41 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.33 2daf s SER 6 CO 0.31 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.58 2daf n GLY 7 N 2.32 1.35 0.30 3.44 0.00 -1.26 -5.09 105.19 106.25 2daf n GLY 7 Ca -0.02 0.22 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 2daf n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2daf n GLN 8 N -0.05 0.41 -4.40 1.61 3.00 -1.26 -5.06 117.38 111.63 2daf n GLN 8 Ca 0.00 0.16 -0.21 0.00 -0.01 0.00 0.00 57.00 56.95 2daf n GLN 8 Cb 0.00 -1.22 -0.10 0.00 0.00 0.00 0.00 30.24 28.91 2daf n GLN 8 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2daf s GLU 9 N -2.70 1.47 0.77 -1.09 2.12 -1.26 -5.16 118.70 112.85 2daf s GLU 9 Ca -0.23 -1.67 -0.05 0.00 0.36 0.00 0.00 54.97 53.37 2daf s GLU 9 Cb 0.03 -1.33 0.13 0.00 0.26 0.00 0.00 34.13 33.22 2daf s GLU 9 CO 0.34 0.21 1.07 -1.12 -0.54 0.00 0.00 175.26 175.21 2daf s SER 10 N -3.39 4.18 -0.12 -1.70 0.01 -1.26 -5.10 113.70 106.32 2daf s SER 10 Ca 0.26 -0.04 -0.00 0.00 1.31 0.00 0.00 55.95 57.48 2daf s SER 10 Cb -0.01 -0.34 0.03 0.00 0.21 0.00 0.00 66.02 65.90 2daf s SER 10 CO 0.10 -1.99 -0.08 -0.69 0.41 0.00 0.00 173.24 170.99 2daf s VAL 11 N -3.32 1.04 -1.02 3.43 1.01 -1.26 -5.08 120.40 115.21 2daf s VAL 11 Ca 0.67 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.14 2daf s VAL 11 Cb -0.06 -1.06 0.09 0.00 0.00 0.00 0.00 36.38 35.34 2daf s VAL 11 CO 0.46 0.37 1.35 -1.61 0.00 0.00 0.00 175.10 175.67 2daf s GLU 12 N 1.70 3.65 -0.27 2.72 0.41 -1.26 -4.92 118.70 120.74 2daf s GLU 12 Ca 0.05 -1.52 -0.22 0.00 -0.41 0.00 0.00 54.97 52.87 2daf s GLU 12 Cb -0.13 -5.19 0.07 0.00 -1.78 0.00 0.00 34.13 27.11 2daf s GLU 12 CO -0.08 -2.02 0.70 0.34 -0.49 0.00 0.00 175.26 173.70 2daf s ASP 13 N 4.29 -0.79 -1.41 -0.19 2.15 -1.26 -4.96 116.67 114.49 2daf s ASP 13 Ca 0.41 1.44 -0.13 0.00 0.43 0.00 0.00 52.55 54.71 2daf s ASP 13 Cb -0.02 1.42 0.02 0.00 -0.30 0.00 0.00 42.92 44.04 2daf s ASP 13 CO -0.08 -0.24 0.30 -1.20 -0.17 0.00 0.00 175.17 173.78 2daf n SER 14 N 3.17 -1.09 -4.69 -0.34 7.64 -1.26 -4.88 113.62 112.17 2daf n SER 14 Ca -0.16 -1.25 -0.37 0.00 1.01 0.00 0.00 58.87 58.10 2daf n SER 14 Cb 0.56 -1.82 -0.08 0.00 -1.01 0.00 0.00 64.21 61.86 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 -7.35 4.18 0.09 -3.43 1.43 -1.26 -3.16 118.68 109.18 2daf s LEU 15 Ca 0.18 0.33 0.10 0.00 -1.03 0.00 0.00 54.13 53.72 2daf s LEU 15 Cb -0.10 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 2daf s LEU 15 CO 0.98 0.06 -0.26 0.00 0.23 0.00 0.00 176.35 177.36 2daf s ALA 16 N 0.83 2.37 -0.47 4.21 0.00 -0.78 -1.25 121.76 126.67 2daf s ALA 16 Ca 0.13 -1.37 -0.29 0.00 0.00 0.00 0.00 51.96 50.43 2daf s ALA 16 Cb -0.13 -0.46 0.03 0.00 0.00 0.00 0.00 23.12 22.56 2daf s ALA 16 CO 0.04 0.54 1.16 0.99 0.00 0.00 0.00 175.76 178.49 2daf s THR 17 N -0.96 4.20 -0.40 0.00 2.01 0.11 -3.01 115.64 117.59 2daf s THR 17 Ca 0.14 1.23 -0.05 0.00 0.31 0.00 0.00 61.69 63.31 2daf s THR 17 Cb -0.10 -4.57 0.10 0.00 0.01 0.00 0.00 72.50 67.93 2daf s THR 17 CO 0.05 -0.97 0.20 -0.69 -0.69 0.00 0.00 174.62 172.52 2daf s VAL 18 N 4.49 3.54 0.25 3.82 1.01 -1.24 -1.78 120.40 130.50 2daf s VAL 18 Ca 0.49 -1.79 -0.30 0.00 0.00 0.00 0.00 61.98 60.38 2daf s VAL 18 Cb -0.08 -3.31 -0.09 0.00 0.00 0.00 0.00 36.38 32.91 2daf s VAL 18 CO 0.31 -0.58 1.20 -0.54 0.00 0.00 0.00 175.10 175.50 2daf s LYS 19 N 1.24 4.50 -0.06 2.72 1.02 -1.09 -3.72 119.74 124.35 2daf s LYS 19 Ca 0.05 1.94 0.04 0.00 0.02 0.00 0.00 55.97 58.02 2daf s LYS 19 Cb -0.23 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 2daf s LYS 19 CO -0.02 -0.03 -0.17 0.08 -0.92 0.00 0.00 175.35 174.29 2daf s VAL 20 N -0.62 2.77 -0.07 3.17 1.01 0.12 -1.48 120.40 125.30 2daf s VAL 20 Ca 0.50 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2daf s VAL 20 Cb -0.34 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 33.98 2daf s VAL 20 CO 0.42 0.57 -0.07 -0.69 0.00 0.00 0.00 175.10 175.33 2daf s VAL 21 N -0.41 0.78 -0.07 2.92 1.01 -0.94 -0.77 120.40 122.93 2daf s VAL 21 Ca 0.04 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 2daf s VAL 21 Cb -0.12 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 2daf s VAL 21 CO 0.02 0.29 1.00 -0.76 0.00 0.00 0.00 175.10 175.66 2daf s LEU 22 N 1.12 4.29 -0.03 3.92 1.43 -0.90 -1.57 118.68 126.93 2daf s LEU 22 Ca -0.07 1.59 -0.18 0.00 -1.03 0.00 0.00 54.13 54.43 2daf s LEU 22 Cb -0.14 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.41 2daf s LEU 22 CO -0.01 -0.39 0.78 0.40 0.23 0.00 0.00 176.35 177.36 2daf h ILE 23 N 4.99 0.17 -0.17 -0.59 1.08 -1.76 0.61 117.51 121.84 2daf h ILE 23 Ca -0.35 -0.63 -0.13 0.00 -0.39 0.00 0.00 64.86 63.36 2daf h ILE 23 Cb 1.17 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 2daf h ILE 23 CO 0.82 0.04 -0.44 1.55 -0.69 0.00 0.00 178.15 179.43 2daf h PRO 24 N -1.09 0.42 0.00 2.37 0.13 -1.91 -3.33 132.00 128.59 2daf h PRO 24 Ca -0.06 -0.22 -0.08 0.00 -0.87 0.00 0.00 66.00 64.78 2daf h PRO 24 Cb 0.49 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 2daf h PRO 24 CO 0.09 0.78 -0.55 0.28 -0.23 0.00 0.00 178.00 178.37 2daf h VAL 25 N 0.34 0.66 0.00 1.56 2.07 -1.80 -3.49 116.25 115.60 2daf h VAL 25 Ca 0.03 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.89 2daf h VAL 25 Cb 0.91 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2daf h VAL 25 CO 0.08 0.23 0.00 0.61 0.02 0.00 0.00 177.57 178.50 2daf n GLY 26 N 1.59 0.80 3.82 2.17 0.00 0.21 -5.00 105.19 108.78 2daf n GLY 26 Ca -0.15 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.61 4.14 -0.01 1.61 0.74 -1.26 -4.76 119.66 119.51 2daf s GLN 27 Ca 0.00 0.69 -0.16 0.00 0.05 0.00 0.00 55.36 55.94 2daf s GLN 27 Cb 0.00 -3.01 -0.06 0.00 1.10 0.00 0.00 33.01 31.05 2daf s GLN 27 CO 0.00 0.50 0.45 -2.00 -0.55 0.00 0.00 175.29 173.69 2daf s GLU 28 N -1.72 4.05 -0.06 1.67 2.12 -1.26 -2.12 118.70 121.37 2daf s GLU 28 Ca 0.37 0.47 -0.03 0.00 0.36 0.00 0.00 54.97 56.14 2daf s GLU 28 Cb -0.17 -3.26 0.03 0.00 0.26 0.00 0.00 34.13 30.99 2daf s GLU 28 CO 0.20 0.59 0.14 0.42 -0.54 0.00 0.00 175.26 176.06 2daf s ILE 29 N -0.77 -0.04 -0.15 -3.70 1.01 0.05 -5.03 121.20 112.58 2daf s ILE 29 Ca 0.25 0.14 -0.02 0.00 0.00 0.00 0.00 60.65 61.02 2daf s ILE 29 Cb -0.17 -0.22 -0.02 0.00 0.01 0.00 0.00 42.46 42.06 2daf s ILE 29 CO 0.14 0.06 -0.08 -0.69 0.00 0.00 0.00 174.94 174.37 2daf s VAL 30 N 0.93 3.50 -0.15 2.92 1.01 -1.26 0.16 120.40 127.50 2daf s VAL 30 Ca -0.07 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 2daf s VAL 30 Cb -0.09 -2.51 0.05 0.00 0.00 0.00 0.00 36.38 33.82 2daf s VAL 30 CO -0.05 0.50 0.39 -0.51 0.00 0.00 0.00 175.10 175.44 2daf s ILE 31 N 0.40 -0.01 0.60 2.22 2.07 -1.24 -5.01 121.20 120.23 2daf s ILE 31 Ca -0.07 0.04 -0.17 0.00 -1.41 0.00 0.00 60.65 59.04 2daf s ILE 31 Cb -0.15 -0.56 -0.03 0.00 0.13 0.00 0.00 42.46 41.85 2daf s ILE 31 CO 0.04 0.02 1.12 -2.16 -1.91 0.00 0.00 174.94 172.05 2daf s PRO 32 N 0.67 3.08 -0.00 3.50 0.04 -1.26 -3.62 135.00 137.41 2daf s PRO 32 Ca -0.04 1.50 -0.26 0.00 0.04 0.00 0.00 61.00 62.24 2daf s PRO 32 Cb -0.05 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.57 2daf s PRO 32 CO -0.04 -1.05 0.59 0.12 0.04 0.00 0.00 177.00 176.65 2daf s PHE 33 N -2.06 -0.53 -0.18 0.56 5.36 -1.16 -4.95 117.98 115.01 2daf s PHE 33 Ca 0.70 0.78 -0.21 0.00 -0.96 0.00 0.00 56.93 57.24 2daf s PHE 33 Cb -0.22 0.37 -0.03 0.00 -0.34 0.00 0.00 43.02 42.80 2daf s PHE 33 CO 0.34 -0.62 0.65 0.15 -1.46 0.00 0.00 175.22 174.28 2daf s LYS 34 N -1.78 4.24 0.47 10.12 3.01 -1.26 -1.87 119.74 132.66 2daf s LYS 34 Ca -0.09 0.67 0.32 0.00 -1.01 0.00 0.00 55.97 55.86 2daf s LYS 34 Cb -0.01 -3.56 1.54 0.00 -1.01 0.00 0.00 37.83 34.79 2daf s LYS 34 CO 0.04 -0.21 1.96 -0.39 0.51 0.00 0.00 175.35 177.26 2daf h VAL 35 N 5.14 0.00 0.00 3.17 -1.51 -1.88 -1.06 116.25 120.11 2daf h VAL 35 Ca -0.32 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 2daf h VAL 35 Cb 1.15 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 2daf h VAL 35 CO 0.78 0.00 -0.93 -0.67 -1.23 0.00 0.00 177.57 175.52 2daf n ASP 36 N -2.72 0.65 -4.73 4.19 -0.08 -1.26 -2.28 116.55 110.33 2daf n ASP 36 Ca -0.01 -0.38 -0.37 0.00 -1.51 0.00 0.00 54.79 52.53 2daf n ASP 36 Cb 0.17 0.75 -0.07 0.00 2.34 0.00 0.00 41.12 44.31 2daf n ASP 36 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2daf s THR 37 N -3.12 5.26 1.03 5.18 2.01 -0.40 -4.95 115.64 120.65 2daf s THR 37 Ca 0.06 0.70 -0.18 0.00 0.31 0.00 0.00 61.69 62.58 2daf s THR 37 Cb 0.15 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.95 2daf s THR 37 CO 0.80 0.36 -0.29 2.30 -0.69 0.00 0.00 174.62 177.10 2daf n ILE 38 N 3.61 0.00 0.09 1.82 -5.35 -1.26 -4.54 119.36 113.73 2daf n ILE 38 Ca -0.10 -0.25 -0.08 0.00 -0.27 0.00 0.00 62.75 62.05 2daf n ILE 38 Cb 0.52 -0.40 -0.00 0.00 -1.74 0.00 0.00 39.64 38.01 2daf n ILE 38 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2daf h LEU 39 N -1.55 0.22 -0.97 7.28 3.38 -1.39 -3.33 115.31 118.95 2daf h LEU 39 Ca -0.46 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 57.42 2daf h LEU 39 Cb 1.33 -0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.90 2daf h LEU 39 CO 0.31 0.98 -0.56 1.17 0.09 0.00 0.00 178.44 180.44 2daf n LYS 40 N -3.65 -0.41 -0.21 1.13 0.00 -0.83 -1.24 118.16 112.96 2daf n LYS 40 Ca -0.03 1.47 -0.05 0.00 0.00 0.00 0.00 58.31 59.69 2daf n LYS 40 Cb 0.80 -2.16 -0.05 0.00 0.00 0.00 0.00 35.03 33.63 2daf n LYS 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2daf n TYR 41 N -5.23 -0.22 -0.27 5.64 4.02 -1.25 0.82 117.16 120.67 2daf n TYR 41 Ca 0.03 0.62 0.02 0.00 -0.01 0.00 0.00 57.90 58.56 2daf n TYR 41 Cb 0.26 -0.50 0.15 0.00 -0.02 0.00 0.00 39.34 39.23 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 0.61 -0.33 7.72 5.85 -1.39 -2.78 115.31 124.99 2daf h LEU 42 Ca 0.08 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.89 2daf h LEU 42 Cb 0.20 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.10 2daf h LEU 42 CO -0.47 0.36 -0.47 0.50 -0.34 0.00 0.00 178.44 178.02 2daf h LYS 43 N 0.74 -0.33 -0.86 1.25 3.64 0.18 0.00 116.57 121.18 2daf h LYS 43 Ca 0.37 0.02 0.22 0.00 -1.27 0.00 0.00 60.65 60.00 2daf h LYS 43 Cb 0.33 0.08 -0.13 0.00 -0.41 0.00 0.00 32.23 32.10 2daf h LYS 43 CO -0.24 -0.22 0.25 -0.44 -2.27 0.00 0.00 179.45 176.53 2daf h ASP 44 N -0.34 0.06 -0.72 4.20 3.32 -1.03 -0.27 116.42 121.63 2daf h ASP 44 Ca 0.06 0.18 0.07 0.00 0.02 0.00 0.00 57.03 57.36 2daf h ASP 44 Cb 0.50 0.24 -0.09 0.00 0.22 0.00 0.00 39.33 40.19 2daf h ASP 44 CO -0.49 -0.12 -0.50 -0.74 -1.72 0.00 0.00 179.24 175.67 2daf h HIS 45 N 0.25 -1.59 0.25 4.55 2.76 -0.89 0.64 115.15 121.12 2daf h HIS 45 Ca 0.54 0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.79 2daf h HIS 45 Cb 1.05 0.79 0.00 0.00 1.55 0.00 0.00 27.41 30.81 2daf h HIS 45 CO -0.24 -0.35 -0.12 0.74 -1.30 0.00 0.00 177.93 176.66 2daf h PHE 46 N -0.10 -0.31 -0.10 5.26 0.04 -1.21 -2.69 116.94 117.83 2daf h PHE 46 Ca 0.12 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.89 2daf h PHE 46 Cb 0.40 0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 2daf h PHE 46 CO -0.93 0.06 -0.12 0.77 -0.60 0.00 0.00 178.31 177.49 2daf h SER 47 N -0.83 -0.42 -0.55 2.17 0.02 -0.68 0.22 113.55 113.50 2daf h SER 47 Ca -0.03 0.06 0.09 0.00 -0.84 0.00 0.00 61.79 61.07 2daf h SER 47 Cb 0.51 0.17 -0.11 0.00 0.14 0.00 0.00 62.40 63.12 2daf h SER 47 CO 0.06 -0.09 -0.37 1.12 -1.14 0.00 0.00 176.83 176.41 2daf h HIS 48 N -0.08 -1.04 -0.06 3.45 2.07 0.19 0.49 115.15 120.17 2daf h HIS 48 Ca 0.02 0.07 0.02 0.00 -2.85 0.00 0.00 60.37 57.63 2daf h HIS 48 Cb 0.13 0.54 -0.05 0.00 2.57 0.00 0.00 27.41 30.60 2daf h HIS 48 CO -0.66 -0.40 -0.42 1.25 -3.07 0.00 0.00 177.93 174.63 2daf h LEU 49 N -0.20 -1.33 -2.31 6.12 7.12 -1.03 0.76 115.31 124.44 2daf h LEU 49 Ca 0.20 0.15 0.03 0.00 0.13 0.00 0.00 57.88 58.40 2daf h LEU 49 Cb 0.56 0.51 -0.00 0.00 -0.53 0.00 0.00 40.66 41.19 2daf h LEU 49 CO -0.66 -0.39 0.12 -0.07 -0.13 0.00 0.00 178.44 177.30 2daf h LEU 50 N -0.49 0.00 0.00 2.25 3.38 0.08 -3.45 115.31 117.07 2daf h LEU 50 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2daf h LEU 50 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2daf h LEU 50 CO -0.31 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.83 2daf n GLY 51 N -1.38 1.27 3.85 0.83 0.00 0.17 -5.03 105.19 104.90 2daf n GLY 51 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.33 4.75 0.66 -0.61 -4.36 -0.94 -4.88 121.20 113.49 2daf s ILE 52 Ca 0.00 0.87 -0.15 0.00 -0.26 0.00 0.00 60.65 61.11 2daf s ILE 52 Cb 0.00 -3.68 0.00 0.00 1.25 0.00 0.00 42.46 40.03 2daf s ILE 52 CO 0.00 -0.01 1.11 -2.16 0.24 0.00 0.00 174.94 174.12 2daf s PRO 53 N -2.58 2.78 0.00 0.37 0.04 -1.26 -3.83 135.00 130.51 2daf s PRO 53 Ca 0.48 1.38 0.18 0.00 0.04 0.00 0.00 61.00 63.07 2daf s PRO 53 Cb -0.12 -1.95 0.93 0.00 0.04 0.00 0.00 34.50 33.39 2daf s PRO 53 CO 0.19 -1.27 1.54 -2.39 0.04 0.00 0.00 177.00 175.12 2daf n HIS 54 N -2.47 0.00 0.28 0.56 1.44 -1.26 -3.34 115.22 110.43 2daf n HIS 54 Ca 0.10 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.69 2daf n HIS 54 Cb 0.52 -0.26 -0.06 0.00 0.12 0.00 0.00 29.99 30.31 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 -0.64 0.46 4.39 4.64 -2.02 -3.24 113.55 117.14 2daf h SER 55 Ca 0.00 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 2daf h SER 55 Cb 0.15 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2daf h SER 55 CO 0.00 -0.24 -0.34 -0.37 -0.87 0.00 0.00 176.83 175.01 2daf h VAL 56 N -1.16 1.10 -3.77 0.95 -1.51 -1.96 -3.43 116.25 106.47 2daf h VAL 56 Ca -0.08 -1.23 -0.49 0.00 -1.23 0.00 0.00 66.70 63.67 2daf h VAL 56 Cb 0.61 1.69 -0.02 0.00 -2.13 0.00 0.00 31.29 31.43 2daf h VAL 56 CO 0.13 0.34 0.26 -0.22 -1.23 0.00 0.00 177.57 176.84 2daf s LEU 57 N -7.85 4.35 0.29 4.19 2.96 -1.21 -0.75 118.68 120.67 2daf s LEU 57 Ca -0.02 1.69 -0.02 0.00 -0.22 0.00 0.00 54.13 55.56 2daf s LEU 57 Cb 0.14 -3.84 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 2daf s LEU 57 CO 0.70 -0.02 0.36 -1.10 -1.32 0.00 0.00 176.35 174.97 2daf s GLN 58 N -1.98 1.67 -0.04 1.98 -0.21 -0.69 -4.84 119.66 115.55 2daf s GLN 58 Ca 0.47 -1.71 0.01 0.00 0.02 0.00 0.00 55.36 54.16 2daf s GLN 58 Cb -0.18 0.39 0.02 0.00 1.00 0.00 0.00 33.01 34.23 2daf s GLN 58 CO 0.23 -0.65 -0.05 0.42 -2.12 0.00 0.00 175.29 173.12 2daf s ILE 59 N -3.53 0.57 -0.17 1.08 1.01 -1.26 -3.08 121.20 115.81 2daf s ILE 59 Ca 0.33 -0.17 -0.02 0.00 0.00 0.00 0.00 60.65 60.79 2daf s ILE 59 Cb 0.02 -0.57 -0.01 0.00 0.01 0.00 0.00 42.46 41.91 2daf s ILE 59 CO 0.18 0.22 -0.10 -0.60 0.00 0.00 0.00 174.94 174.64 2daf s ARG 60 N 0.69 3.37 -0.03 2.79 3.52 -0.29 -1.32 118.95 127.68 2daf s ARG 60 Ca -0.09 -0.66 -0.01 0.00 -0.13 0.00 0.00 55.73 54.84 2daf s ARG 60 Cb -0.13 -2.79 0.03 0.00 -1.56 0.00 0.00 34.95 30.51 2daf s ARG 60 CO 0.00 0.03 0.05 -0.47 -0.81 0.00 0.00 175.30 174.10 2daf s TYR 61 N 0.85 -0.01 -1.61 5.12 5.04 0.47 -1.87 117.35 125.35 2daf s TYR 61 Ca -0.03 0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.80 2daf s TYR 61 Cb -0.15 -0.20 0.00 0.00 0.35 0.00 0.00 41.96 41.96 2daf s TYR 61 CO 0.01 -0.10 0.00 0.45 -1.34 0.00 0.00 175.55 174.56 2daf n SER 62 N 4.16 -5.11 0.00 4.32 2.88 -1.26 -1.30 113.62 117.31 2daf n SER 62 Ca -0.27 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 2daf n SER 62 Cb 0.51 -4.18 0.00 0.00 -0.75 0.00 0.00 64.21 59.79 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 -0.96 1.24 3.41 0.46 0.00 -1.26 -5.00 105.19 103.08 2daf n GLY 63 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.02 1.83 -0.08 1.61 -2.85 -0.42 -5.11 119.74 114.69 2daf s LYS 64 Ca 0.00 -1.12 -0.30 0.00 -1.00 0.00 0.00 55.97 53.56 2daf s LYS 64 Cb 0.00 -2.06 -0.02 0.00 -2.06 0.00 0.00 37.83 33.69 2daf s LYS 64 CO 0.00 0.51 1.02 0.42 0.10 0.00 0.00 175.35 177.40 2daf s ILE 65 N -0.94 4.74 -0.10 3.79 -1.09 -1.26 -0.40 121.20 125.94 2daf s ILE 65 Ca 0.14 2.00 -0.19 0.00 -2.23 0.00 0.00 60.65 60.38 2daf s ILE 65 Cb -0.10 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.45 2daf s ILE 65 CO 0.05 0.03 0.50 -0.76 -1.23 0.00 0.00 174.94 173.52 2daf s LEU 66 N 1.88 4.29 0.62 2.97 1.43 -0.43 -4.95 118.68 124.49 2daf s LEU 66 Ca 0.50 0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 54.35 2daf s LEU 66 Cb -0.19 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 2daf s LEU 66 CO 0.20 0.01 1.03 -0.75 0.23 0.00 0.00 176.35 177.07 2daf s LYS 67 N 0.52 3.52 0.20 1.70 2.47 -1.26 -4.44 119.74 122.46 2daf s LYS 67 Ca 0.27 0.83 -0.06 0.00 -1.56 0.00 0.00 55.97 55.46 2daf s LYS 67 Cb -0.16 -2.07 0.15 0.00 -1.46 0.00 0.00 37.83 34.30 2daf s LYS 67 CO 0.11 -0.63 1.63 -2.95 0.16 0.00 0.00 175.35 173.67 2daf h ASN 68 N -0.18 0.86 0.40 1.43 -1.07 -1.97 -2.36 115.58 112.68 2daf h ASN 68 Ca -0.44 -0.30 0.00 0.00 0.07 0.00 0.00 56.30 55.63 2daf h ASN 68 Cb 1.19 -0.23 0.00 0.00 -2.07 0.00 0.00 38.32 37.21 2daf h ASN 68 CO 0.61 1.02 -0.01 0.59 0.07 0.00 0.00 177.43 179.71 2daf n ASN 69 N -4.13 0.04 -4.74 6.14 3.02 -1.26 -1.96 115.26 112.38 2daf n ASN 69 Ca 0.01 -0.41 -0.40 0.00 -0.03 0.00 0.00 54.58 53.75 2daf n ASN 69 Cb 0.42 -0.19 -0.05 0.00 -0.61 0.00 0.00 39.78 39.35 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 -2.41 4.51 0.08 3.52 0.41 -0.89 -4.90 118.70 119.03 2daf s GLU 70 Ca 0.34 1.09 -0.01 0.00 -0.41 0.00 0.00 54.97 55.98 2daf s GLU 70 Cb 0.21 -3.37 -0.04 0.00 -1.78 0.00 0.00 34.13 29.15 2daf s GLU 70 CO 0.44 0.28 0.25 0.99 -0.49 0.00 0.00 175.26 176.72 2daf s THR 71 N -0.04 5.34 0.09 3.63 2.01 -1.26 -2.77 115.64 122.64 2daf s THR 71 Ca 0.39 -0.30 -0.32 0.00 0.31 0.00 0.00 61.69 61.76 2daf s THR 71 Cb -0.21 -3.63 -0.14 0.00 0.01 0.00 0.00 72.50 68.53 2daf s THR 71 CO 0.23 0.11 1.60 -0.07 -0.69 0.00 0.00 174.62 175.81 2daf h LEU 72 N 3.01 -1.06 -0.87 4.42 -0.00 -1.79 -2.54 115.31 116.47 2daf h LEU 72 Ca -0.45 0.09 0.22 0.00 -0.00 0.00 0.00 57.88 57.74 2daf h LEU 72 Cb 1.16 0.35 -0.15 0.00 -0.00 0.00 0.00 40.66 42.02 2daf h LEU 72 CO 0.75 -0.55 0.07 -0.37 -0.00 0.00 0.00 178.44 178.34 2daf h VAL 73 N -0.82 0.22 -0.95 1.22 -1.51 -1.63 0.73 116.25 113.51 2daf h VAL 73 Ca -0.04 -0.03 0.19 0.00 -1.23 0.00 0.00 66.70 65.59 2daf h VAL 73 Cb 0.73 0.11 -0.08 0.00 -2.13 0.00 0.00 31.29 29.92 2daf h VAL 73 CO -0.05 0.02 0.61 1.56 -1.23 0.00 0.00 177.57 178.47 2daf h GLN 74 N 0.10 0.56 0.00 5.19 4.20 -1.76 0.52 115.11 123.92 2daf h GLN 74 Ca 0.51 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.19 2daf h GLN 74 Cb 1.00 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.65 2daf h GLN 74 CO -0.75 0.37 0.00 0.45 -0.67 0.00 0.00 178.83 178.23 2daf h HIS 75 N 0.58 0.00 0.00 2.96 3.86 0.54 -3.48 115.15 119.61 2daf h HIS 75 Ca 0.51 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.72 2daf h HIS 75 Cb 1.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.50 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 1.13 0.75 2.90 2.45 0.00 0.18 -5.12 105.19 107.47 2daf n GLY 76 Ca 0.04 -0.79 -0.24 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 -1.42 0.79 0.36 1.61 1.01 -1.22 -4.96 120.40 116.57 2daf s VAL 77 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 2daf s VAL 77 Cb 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2daf s VAL 77 CO 0.00 0.31 0.62 -0.54 0.00 0.00 0.00 175.10 175.49 2daf s LYS 78 N 1.38 3.56 0.59 2.72 1.02 -1.26 -4.21 119.74 123.53 2daf s LYS 78 Ca -0.03 -0.06 -0.18 0.00 0.02 0.00 0.00 55.97 55.73 2daf s LYS 78 Cb -0.14 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 34.56 2daf s LYS 78 CO -0.03 0.07 1.12 -1.25 -0.92 0.00 0.00 175.35 174.34 2daf s PRO 79 N -4.16 3.16 -1.30 -1.68 0.04 -1.26 -3.66 135.00 126.14 2daf s PRO 79 Ca 0.44 1.53 -0.06 0.00 0.04 0.00 0.00 61.00 62.94 2daf s PRO 79 Cb -0.10 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.46 2daf s PRO 79 CO 0.36 -0.99 1.12 1.04 0.04 0.00 0.00 177.00 178.57 2daf n GLN 80 N -1.71 -7.52 -4.52 4.56 6.02 -0.38 -4.91 117.38 108.92 2daf n GLN 80 Ca 0.11 0.83 -0.24 0.00 -0.01 0.00 0.00 57.00 57.69 2daf n GLN 80 Cb 0.51 -5.85 -0.11 0.00 1.02 0.00 0.00 30.24 25.81 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 -6.01 1.75 -0.16 -1.09 -1.05 -1.24 -4.87 118.70 106.02 2daf s GLU 81 Ca 0.41 -1.93 -0.01 0.00 -0.15 0.00 0.00 54.97 53.28 2daf s GLU 81 Cb -0.18 -1.41 -0.01 0.00 -0.44 0.00 0.00 34.13 32.09 2daf s GLU 81 CO 0.72 0.02 -0.10 0.42 0.95 0.00 0.00 175.26 177.27 2daf s ILE 82 N -2.85 3.17 0.23 1.83 1.01 -1.26 0.09 121.20 123.43 2daf s ILE 82 Ca 0.33 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.40 2daf s ILE 82 Cb 0.06 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 2daf s ILE 82 CO 0.15 0.50 0.08 1.33 0.00 0.00 0.00 174.94 177.00 2daf n VAL 83 N 3.91 0.00 -3.63 2.92 0.24 -0.73 -5.03 118.33 116.01 2daf n VAL 83 Ca -0.18 -1.35 -0.10 0.00 -2.04 0.00 0.00 64.34 60.67 2daf n VAL 83 Cb 0.52 0.48 -0.11 0.00 -1.47 0.00 0.00 33.84 33.26 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 -2.88 0.26 0.38 7.34 0.74 -1.26 -2.67 119.66 121.57 2daf s GLN 84 Ca 0.12 0.88 0.08 0.00 0.05 0.00 0.00 55.36 56.48 2daf s GLN 84 Cb 0.01 0.10 -0.07 0.00 1.10 0.00 0.00 33.01 34.15 2daf s GLN 84 CO 0.08 -0.31 -0.02 0.14 -0.55 0.00 0.00 175.29 174.63 2daf s VAL 85 N 2.54 2.01 -0.04 1.34 -7.23 -0.55 -4.75 120.40 113.71 2daf s VAL 85 Ca 0.01 -2.07 0.03 0.00 -1.81 0.00 0.00 61.98 58.14 2daf s VAL 85 Cb -0.12 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 33.97 2daf s VAL 85 CO -0.12 -0.08 -0.13 -1.61 -0.31 0.00 0.00 175.10 172.86 2daf s GLU 86 N -3.69 1.47 -0.15 4.82 2.02 -0.78 -2.21 118.70 120.18 2daf s GLU 86 Ca 0.34 -0.44 -0.01 0.00 0.02 0.00 0.00 54.97 54.88 2daf s GLU 86 Cb 0.07 -1.28 -0.02 0.00 0.10 0.00 0.00 34.13 33.01 2daf s GLU 86 CO 0.17 0.13 -0.10 0.42 0.02 0.00 0.00 175.26 175.90 2daf s ILE 87 N 0.31 3.26 0.15 -1.63 1.01 -0.61 -1.13 121.20 122.55 2daf s ILE 87 Ca -0.07 -0.58 -0.13 0.00 0.00 0.00 0.00 60.65 59.87 2daf s ILE 87 Cb -0.12 -2.40 0.01 0.00 0.01 0.00 0.00 42.46 39.96 2daf s ILE 87 CO 0.02 0.51 0.35 0.72 0.00 0.00 0.00 174.94 176.54 2daf s PHE 88 N 0.48 0.09 -0.10 3.97 -0.12 -1.18 -1.97 117.98 119.15 2daf s PHE 88 Ca -0.08 -0.46 -0.02 0.00 -0.05 0.00 0.00 56.93 56.33 2daf s PHE 88 Cb -0.15 0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.33 2daf s PHE 88 CO 0.04 -0.74 -0.03 0.45 -0.05 0.00 0.00 175.22 174.89 2daf s SER 89 N -2.89 4.91 0.26 1.98 0.15 -1.26 -1.70 113.70 115.15 2daf s SER 89 Ca 0.10 0.00 -0.03 0.00 0.70 0.00 0.00 55.95 56.72 2daf s SER 89 Cb 0.02 -1.47 0.31 0.00 -1.71 0.00 0.00 66.02 63.17 2daf s SER 89 CO -0.05 0.31 1.78 0.71 1.20 0.00 0.00 173.24 177.19 2daf h THR 90 N 4.50 1.24 -3.18 6.45 1.35 -1.29 -3.35 112.91 118.63 2daf h THR 90 Ca -0.44 -0.90 -0.63 0.00 -0.55 0.00 0.00 66.41 63.89 2daf h THR 90 Cb 1.18 0.69 -0.41 0.00 -1.73 0.00 0.00 68.15 67.88 2daf h THR 90 CO 0.57 0.33 -0.65 0.54 -0.25 0.00 0.00 175.52 176.06 2daf s ASN 91 N -6.57 4.19 0.09 5.36 4.22 -1.26 -4.93 114.94 116.05 2daf s ASN 91 Ca -0.10 -3.16 0.18 0.00 -2.14 0.00 0.00 52.86 47.63 2daf s ASN 91 Cb 0.15 -1.46 0.74 0.00 1.28 0.00 0.00 41.25 41.96 2daf s ASN 91 CO 0.81 -0.20 1.55 -0.81 -2.04 0.00 0.00 177.10 176.41 2daf n PRO 92 N 2.89 0.07 0.07 3.55 -0.04 -1.26 -1.27 135.00 139.01 2daf n PRO 92 Ca 0.11 0.32 -0.05 0.00 -0.04 0.00 0.00 63.50 63.84 2daf n PRO 92 Cb 0.34 -1.64 -0.09 0.00 -0.04 0.00 0.00 33.50 32.08 2daf n PRO 92 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2daf h ASP 93 N 0.00 0.00 0.00 3.54 1.82 -1.95 -3.20 116.42 116.63 2daf h ASP 93 Ca 0.00 0.00 -0.43 0.00 -0.39 0.00 0.00 57.03 56.21 2daf h ASP 93 Cb 0.29 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.23 2daf h ASP 93 CO 0.00 0.86 -2.36 0.18 -1.61 0.00 0.00 179.24 176.31 2daf n LEU 94 N -3.26 2.03 -3.61 2.28 4.77 -1.01 -4.83 117.00 113.38 2daf n LEU 94 Ca -0.02 0.31 -0.28 0.00 -0.03 0.00 0.00 56.01 55.99 2daf n LEU 94 Cb 0.90 -0.85 -0.11 0.00 -2.33 0.00 0.00 43.42 41.03 2daf n LEU 94 CO 0.45 0.57 -0.22 -0.31 -1.33 0.00 0.00 177.39 176.55 2daf s TYR 95 N -2.49 2.01 0.57 -1.77 1.51 -0.39 -5.12 117.35 111.67 2daf s TYR 95 Ca -0.37 -2.63 -0.18 0.00 -1.01 0.00 0.00 57.07 52.88 2daf s TYR 95 Cb 0.13 -1.65 -0.04 0.00 -0.11 0.00 0.00 41.96 40.28 2daf s TYR 95 CO 0.52 -0.73 1.12 -1.25 -1.11 0.00 0.00 175.55 174.10 2daf s PRO 96 N -0.31 3.22 -0.35 -1.71 0.04 -1.21 -4.46 135.00 130.21 2daf s PRO 96 Ca 0.27 1.55 -0.18 0.00 0.04 0.00 0.00 61.00 62.67 2daf s PRO 96 Cb -0.05 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.49 2daf s PRO 96 CO -0.14 -0.95 0.53 0.08 0.04 0.00 0.00 177.00 176.56 2daf s VAL 97 N -1.92 5.00 0.39 -0.36 1.01 -1.26 -5.00 120.40 118.26 2daf s VAL 97 Ca 0.71 0.35 0.06 0.00 0.00 0.00 0.00 61.98 63.10 2daf s VAL 97 Cb -0.23 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2daf s VAL 97 CO 0.31 -0.24 0.55 0.00 0.00 0.00 0.00 175.10 175.72 2daf s ARG 98 N 2.43 2.96 0.81 2.72 1.70 -1.26 -4.55 118.95 123.76 2daf s ARG 98 Ca 0.19 -1.04 -0.12 0.00 -0.47 0.00 0.00 55.73 54.30 2daf s ARG 98 Cb -0.15 -2.75 0.08 0.00 -0.57 0.00 0.00 34.95 31.56 2daf s ARG 98 CO 0.14 -0.16 1.16 -0.98 -1.08 0.00 0.00 175.30 174.38 2daf s ARG 99 N -4.32 1.96 -0.04 3.89 1.70 -1.26 -5.01 118.95 115.87 2daf s ARG 99 Ca 0.50 0.18 -0.02 0.00 -0.47 0.00 0.00 55.73 55.92 2daf s ARG 99 Cb -0.10 -1.94 0.03 0.00 -0.57 0.00 0.00 34.95 32.37 2daf s ARG 99 CO 0.33 -1.61 0.07 0.42 -1.08 0.00 0.00 175.30 173.43 2daf s ILE 100 N -3.51 -0.12 0.05 4.99 1.01 -1.26 -5.04 121.20 117.32 2daf s ILE 100 Ca 0.62 0.35 -0.21 0.00 0.00 0.00 0.00 60.65 61.41 2daf s ILE 100 Cb -0.11 -0.16 -0.13 0.00 0.01 0.00 0.00 42.46 42.07 2daf s ILE 100 CO 0.50 0.15 1.47 -2.24 0.00 0.00 0.00 174.94 174.81 2daf h ASP 101 N 8.08 0.26 0.00 3.58 2.03 -2.04 -3.45 116.42 124.88 2daf h ASP 101 Ca -0.22 -0.33 0.00 0.00 -0.73 0.00 0.00 57.03 55.74 2daf h ASP 101 Cb 1.12 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.55 2daf h ASP 101 CO 0.25 0.53 0.00 0.61 -1.03 0.00 0.00 179.24 179.60 2daf n GLY 102 N -0.23 1.98 3.65 7.15 0.00 -1.26 -4.06 105.19 112.41 2daf n GLY 102 Ca -0.05 0.49 -0.41 0.00 0.00 0.00 0.00 46.02 46.04 2daf n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2daf s LEU 103 N 0.00 4.10 0.05 0.99 2.96 -1.26 -4.99 118.68 120.54 2daf s LEU 103 Ca 0.00 0.94 -0.37 0.00 -0.22 0.00 0.00 54.13 54.48 2daf s LEU 103 Cb 0.00 -3.05 -0.19 0.00 0.50 0.00 0.00 46.19 43.45 2daf s LEU 103 CO 0.00 -0.41 0.98 0.41 -1.32 0.00 0.00 176.35 176.01 2daf n THR 104 N 5.04 0.45 -1.44 3.68 -1.04 -1.26 -4.83 114.28 114.87 2daf n THR 104 Ca 0.02 -0.11 -0.37 0.00 -2.04 0.00 0.00 64.05 61.56 2daf n THR 104 Cb 0.48 -0.09 0.07 0.00 -1.82 0.00 0.00 70.33 68.97 2daf n THR 104 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2daf n ASP 105 N 1.69 0.22 -4.63 8.00 -0.08 -1.26 -4.83 116.55 115.65 2daf n ASP 105 Ca 0.19 0.70 -0.43 0.00 -1.51 0.00 0.00 54.79 53.75 2daf n ASP 105 Cb 0.13 -1.36 -0.03 0.00 2.34 0.00 0.00 41.12 42.20 2daf n ASP 105 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2daf s VAL 106 N -1.72 3.24 0.31 5.18 1.01 -1.26 -4.92 120.40 122.25 2daf s VAL 106 Ca 0.73 0.28 -0.18 0.00 0.00 0.00 0.00 61.98 62.80 2daf s VAL 106 Cb -0.37 -3.25 0.05 0.00 0.00 0.00 0.00 36.38 32.81 2daf s VAL 106 CO 0.50 -0.10 0.84 -0.44 0.00 0.00 0.00 175.10 175.90 2daf s SER 107 N 5.64 -0.05 -0.44 3.32 0.01 -1.26 -5.13 113.70 115.80 2daf s SER 107 Ca 0.87 -0.92 -0.07 0.00 1.31 0.00 0.00 55.95 57.14 2daf s SER 107 Cb -0.33 0.74 0.11 0.00 0.21 0.00 0.00 66.02 66.74 2daf s SER 107 CO 0.35 -1.45 0.27 -1.10 0.41 0.00 0.00 173.24 171.73 2daf s GLN 108 N -2.59 2.31 0.23 12.44 -0.21 -1.26 -5.08 119.66 125.51 2daf s GLN 108 Ca 0.16 -1.74 0.11 0.00 0.02 0.00 0.00 55.36 53.91 2daf s GLN 108 Cb -0.04 -3.76 -0.05 0.00 1.00 0.00 0.00 33.01 30.16 2daf s GLN 108 CO 0.09 -1.11 -0.17 0.96 -2.12 0.00 0.00 175.29 172.94 2daf s ILE 109 N 1.28 2.68 -0.23 1.08 -5.25 -1.26 -5.14 121.20 114.37 2daf s ILE 109 Ca 0.06 -2.10 -0.28 0.00 -0.99 0.00 0.00 60.65 57.34 2daf s ILE 109 Cb -0.24 -2.36 0.14 0.00 2.95 0.00 0.00 42.46 42.94 2daf s ILE 109 CO -0.02 -0.26 1.08 -0.51 -1.79 0.00 0.00 174.94 173.45 2daf s ILE 110 N -2.09 0.00 0.10 8.37 2.07 -1.26 -5.14 121.20 123.26 2daf s ILE 110 Ca 0.26 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.24 2daf s ILE 110 Cb -0.07 -1.00 -0.15 0.00 0.13 0.00 0.00 42.46 41.38 2daf s ILE 110 CO 0.14 0.00 0.58 1.07 -1.91 0.00 0.00 174.94 174.82 2daf n THR 111 N 1.31 1.04 -1.40 4.00 5.66 -1.26 -4.67 114.28 118.96 2daf n THR 111 Ca -0.10 -0.26 -0.50 0.00 -3.05 0.00 0.00 64.05 60.14 2daf n THR 111 Cb 0.57 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.31 2daf n THR 111 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 2daf n VAL 112 N 0.43 1.47 -3.65 1.08 3.14 -1.26 -4.97 118.33 114.57 2daf n VAL 112 Ca 0.15 -0.37 -0.10 0.00 -2.96 0.00 0.00 64.34 61.06 2daf n VAL 112 Cb 0.15 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.89 2daf n VAL 112 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2daf s SER 113 N -0.73 -0.23 1.40 6.55 1.04 -1.26 -5.17 113.70 115.29 2daf s SER 113 Ca 0.69 -0.35 -0.22 0.00 0.48 0.00 0.00 55.95 56.55 2daf s SER 113 Cb -1.00 0.48 0.35 0.00 0.10 0.00 0.00 66.02 65.96 2daf s SER 113 CO 0.55 -0.87 0.79 0.61 0.98 0.00 0.00 173.24 175.30 2daf n GLY 114 N -0.24 -3.68 3.60 7.32 0.00 -1.26 -4.85 105.19 106.09 2daf n GLY 114 Ca -0.15 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 2daf n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2daf s PRO 115 N -4.79 3.45 0.33 1.61 0.04 -1.26 -4.94 135.00 129.43 2daf s PRO 115 Ca 0.61 1.34 -0.17 0.00 0.04 0.00 0.00 61.00 62.83 2daf s PRO 115 Cb -0.11 -4.14 0.03 0.00 0.04 0.00 0.00 34.50 30.33 2daf s PRO 115 CO 0.51 -1.72 0.72 -1.54 0.04 0.00 0.00 177.00 175.01 2daf s SER 116 N 5.36 -0.05 -0.05 6.66 1.04 -1.26 -5.16 113.70 120.24 2daf s SER 116 Ca 0.75 -0.93 -0.15 0.00 0.48 0.00 0.00 55.95 56.09 2daf s SER 116 Cb -0.21 0.77 -0.05 0.00 0.10 0.00 0.00 66.02 66.63 2daf s SER 116 CO 0.33 -1.48 0.41 -0.44 0.98 0.00 0.00 173.24 173.04 2daf s SER 117 N -3.01 6.74 0.00 7.02 0.01 -1.26 -5.19 113.70 118.00 2daf s SER 117 Ca 0.15 0.87 0.23 0.00 1.31 0.00 0.00 55.95 58.52 2daf s SER 117 Cb -0.05 -2.25 1.38 0.00 0.21 0.00 0.00 66.02 65.31 2daf s SER 117 CO 0.10 0.23 1.75 0.61 0.41 0.00 0.00 173.24 176.34