#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8i n SER 2 N 0.00 -5.58 -4.13 1.61 7.64 -1.26 -5.00 113.62 106.89 2d8i n SER 2 Ca 0.00 -0.58 -0.09 0.00 1.01 0.00 0.00 58.87 59.21 2d8i n SER 2 Cb 0.00 -4.93 -0.10 0.00 -1.01 0.00 0.00 64.21 58.17 2d8i n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d8i s SER 3 N -3.48 0.68 0.00 6.43 0.15 -1.26 -4.91 113.70 111.32 2d8i s SER 3 Ca 0.51 -1.06 0.00 0.00 0.70 0.00 0.00 55.95 56.10 2d8i s SER 3 Cb -0.23 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 2d8i s SER 3 CO 0.74 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 175.20 2d8i n GLY 4 N 0.00 2.93 2.86 9.45 0.00 -1.26 -4.94 105.19 114.23 2d8i n GLY 4 Ca -0.11 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 2d8i n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8i s SER 5 N 0.00 4.09 0.03 1.61 0.01 -1.26 -5.01 113.70 113.16 2d8i s SER 5 Ca 0.00 -1.59 -0.27 0.00 1.31 0.00 0.00 55.95 55.41 2d8i s SER 5 Cb 0.00 -1.11 -0.17 0.00 0.21 0.00 0.00 66.02 64.95 2d8i s SER 5 CO 0.00 -0.35 1.34 0.77 0.41 0.00 0.00 173.24 175.41 2d8i h SER 6 N 7.95 -0.45 -3.74 2.44 4.64 -1.94 -3.44 113.55 119.01 2d8i h SER 6 Ca -0.13 -0.10 -0.49 0.00 -0.47 0.00 0.00 61.79 60.60 2d8i h SER 6 Cb 1.04 0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 2d8i h SER 6 CO 0.46 -0.14 0.14 -0.83 -0.87 0.00 0.00 176.83 175.59 2d8i s GLY 7 N -2.52 2.43 -0.25 -0.77 0.00 -1.26 -5.08 107.32 99.87 2d8i s GLY 7 Ca -0.15 0.14 -0.26 0.00 0.00 0.00 0.00 44.72 44.45 2d8i s GLY 7 CO 0.56 0.40 0.84 1.85 0.00 0.00 0.00 173.10 176.74 2d8i s GLU 8 N -2.74 0.74 -0.24 2.90 2.12 -1.26 -5.15 118.70 115.07 2d8i s GLU 8 Ca 0.52 0.75 -0.16 0.00 0.36 0.00 0.00 54.97 56.45 2d8i s GLU 8 Cb -0.12 0.36 -0.04 0.00 0.26 0.00 0.00 34.13 34.59 2d8i s GLU 8 CO 0.18 -0.11 0.40 0.42 -0.54 0.00 0.00 175.26 175.60 2d8i s ILE 9 N 0.09 5.17 0.07 -3.70 1.01 -1.26 -5.02 121.20 117.57 2d8i s ILE 9 Ca -0.00 0.66 -0.27 0.00 0.00 0.00 0.00 60.65 61.03 2d8i s ILE 9 Cb -0.04 -3.72 0.09 0.00 0.01 0.00 0.00 42.46 38.79 2d8i s ILE 9 CO -0.00 0.19 1.03 -0.70 0.00 0.00 0.00 174.94 175.45 2d8i s GLU 10 N 1.78 0.92 0.09 2.79 2.12 -1.26 -5.04 118.70 120.09 2d8i s GLU 10 Ca 0.17 -0.48 0.07 0.00 0.36 0.00 0.00 54.97 55.09 2d8i s GLU 10 Cb -0.15 0.33 -0.22 0.00 0.26 0.00 0.00 34.13 34.35 2d8i s GLU 10 CO 0.09 -0.42 1.15 0.82 -0.54 0.00 0.00 175.26 176.36 2d8i h ILE 11 N 2.00 1.54 -0.31 -3.70 2.04 -1.96 -3.36 117.51 113.77 2d8i h ILE 11 Ca -0.24 -3.26 0.04 0.00 1.00 0.00 0.00 64.86 62.40 2d8i h ILE 11 Cb 1.22 2.78 -0.07 0.00 -0.74 0.00 0.00 36.82 40.01 2d8i h ILE 11 CO 0.27 0.89 -0.55 0.00 0.00 0.00 0.00 178.15 178.76 2d8i n PRO 13 N -5.35 -1.06 -2.28 0.00 -0.04 -1.26 -4.89 135.00 120.12 2d8i n PRO 13 Ca -0.04 -0.03 -0.27 0.00 -0.04 0.00 0.00 63.50 63.12 2d8i n PRO 13 Cb 0.35 -0.03 0.15 0.00 -0.04 0.00 0.00 33.50 33.94 2d8i n PRO 13 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2d8i s LYS 14 N -3.04 1.07 0.13 0.54 -2.85 -1.26 -4.34 119.74 109.98 2d8i s LYS 14 Ca 0.01 -0.84 -0.03 0.00 -1.00 0.00 0.00 55.97 54.11 2d8i s LYS 14 Cb -0.00 -2.09 -0.03 0.00 -2.06 0.00 0.00 37.83 33.65 2d8i s LYS 14 CO 0.01 -1.99 0.11 0.14 0.10 0.00 0.00 175.35 173.72 2d8i s VAL 15 N -3.53 0.11 -0.24 1.79 -7.23 0.84 -4.90 120.40 107.24 2d8i s VAL 15 Ca 0.71 -1.72 -0.10 0.00 -1.81 0.00 0.00 61.98 59.05 2d8i s VAL 15 Cb -0.04 -1.88 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 2d8i s VAL 15 CO 0.49 -0.50 0.16 0.42 -0.31 0.00 0.00 175.10 175.35 2d8i s THR 16 N -4.00 5.35 -0.12 5.32 -4.23 -1.26 -0.24 115.64 116.45 2d8i s THR 16 Ca 0.19 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.88 2d8i s THR 16 Cb 0.06 -3.49 -0.02 0.00 1.34 0.00 0.00 72.50 70.40 2d8i s THR 16 CO -0.01 0.35 -0.13 0.00 -0.54 0.00 0.00 174.62 174.29 2d8i s GLN 17 N 1.02 3.29 -0.49 3.99 -2.07 0.24 -4.99 119.66 120.65 2d8i s GLN 17 Ca 0.07 -0.68 -0.17 0.00 -1.82 0.00 0.00 55.36 52.76 2d8i s GLN 17 Cb -0.13 -2.61 0.07 0.00 -1.09 0.00 0.00 33.01 29.25 2d8i s GLN 17 CO 0.04 0.26 0.51 -1.54 -1.32 0.00 0.00 175.29 173.24 2d8i s SER 18 N 0.22 6.18 -0.27 12.60 1.04 -1.26 -2.32 113.70 129.89 2d8i s SER 18 Ca -0.08 -1.16 -0.17 0.00 0.48 0.00 0.00 55.95 55.02 2d8i s SER 18 Cb -0.15 -2.23 -0.03 0.00 0.10 0.00 0.00 66.02 63.71 2d8i s SER 18 CO 0.05 -0.77 0.49 -0.63 0.98 0.00 0.00 173.24 173.36 2d8i s ILE 19 N 2.10 5.08 -0.33 -1.02 1.09 -0.17 -4.95 121.20 122.99 2d8i s ILE 19 Ca 0.09 0.80 -0.03 0.00 -1.10 0.00 0.00 60.65 60.41 2d8i s ILE 19 Cb -0.22 -3.81 0.06 0.00 -1.06 0.00 0.00 42.46 37.43 2d8i s ILE 19 CO 0.09 0.08 0.07 -1.00 -0.10 0.00 0.00 174.94 174.08 2d8i s HIS 20 N 2.28 3.35 0.00 3.97 3.76 -1.26 -0.93 115.29 126.46 2d8i s HIS 20 Ca 0.20 -1.94 -0.08 0.00 -0.15 0.00 0.00 55.06 53.08 2d8i s HIS 20 Cb -0.16 -2.43 -0.05 0.00 1.11 0.00 0.00 32.58 31.06 2d8i s HIS 20 CO 0.10 -0.84 0.29 0.42 -0.85 0.00 0.00 174.74 173.86 2d8i s ILE 21 N 1.25 5.26 -0.03 0.60 1.01 -0.74 -4.97 121.20 123.57 2d8i s ILE 21 Ca -0.01 0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.96 2d8i s ILE 21 Cb -0.20 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.70 2d8i s ILE 21 CO -0.01 0.41 -0.04 -1.61 0.00 0.00 0.00 174.94 173.69 2d8i s GLU 22 N -1.61 0.58 -0.17 2.79 0.41 -1.25 -1.72 118.70 117.73 2d8i s GLU 22 Ca 0.26 -0.10 -0.01 0.00 -0.41 0.00 0.00 54.97 54.72 2d8i s GLU 22 Cb -0.14 -0.62 -0.00 0.00 -1.78 0.00 0.00 34.13 31.59 2d8i s GLU 22 CO 0.15 -0.02 -0.13 0.15 -0.49 0.00 0.00 175.26 174.92 2d8i s LYS 23 N 0.58 3.27 0.25 1.61 1.02 0.22 -4.98 119.74 121.71 2d8i s LYS 23 Ca -0.07 -0.71 -0.04 0.00 0.02 0.00 0.00 55.97 55.17 2d8i s LYS 23 Cb -0.10 -2.71 0.46 0.00 -0.52 0.00 0.00 37.83 34.95 2d8i s LYS 23 CO -0.00 -0.01 1.74 1.03 -0.92 0.00 0.00 175.35 177.18 2d8i h SER 24 N 7.43 0.32 -2.13 2.83 0.87 -1.96 -3.44 113.55 117.47 2d8i h SER 24 Ca -0.35 0.10 -0.59 0.00 -1.23 0.00 0.00 61.79 59.72 2d8i h SER 24 Cb 1.18 0.07 -0.13 0.00 -0.44 0.00 0.00 62.40 63.08 2d8i h SER 24 CO 0.58 0.13 -0.53 -1.81 -0.53 0.00 0.00 176.83 174.67 2d8i s ASP 25 N -5.36 3.26 0.00 6.23 1.01 -1.26 -5.09 116.67 115.46 2d8i s ASP 25 Ca -0.12 -1.62 0.00 0.00 0.71 0.00 0.00 52.55 51.52 2d8i s ASP 25 Cb 0.20 0.39 0.00 0.00 1.01 0.00 0.00 42.92 44.53 2d8i s ASP 25 CO 0.76 -0.84 0.00 0.35 0.21 0.00 0.00 175.17 175.65 2d8i n THR 26 N -1.01 0.00 -0.23 -1.27 -2.24 -1.26 -4.12 114.28 104.16 2d8i n THR 26 Ca -0.10 0.00 0.31 0.00 -2.27 0.00 0.00 64.05 61.99 2d8i n THR 26 Cb 0.66 -0.69 0.61 0.00 -2.10 0.00 0.00 70.33 68.81 2d8i n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d8i h ALA 27 N 0.00 2.92 0.00 6.98 0.00 -1.99 -1.78 119.26 125.39 2d8i h ALA 27 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 2d8i h ALA 27 Cb 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2d8i h ALA 27 CO 0.00 -1.56 -1.44 0.00 0.00 0.00 0.00 179.25 176.25 2d8i n ALA 28 N -2.43 0.91 -2.70 0.00 0.00 -1.26 -4.93 120.51 110.11 2d8i n ALA 28 Ca 0.23 -0.83 -0.39 0.00 0.00 0.00 0.00 53.44 52.45 2d8i n ALA 28 Cb 1.35 0.01 -0.06 0.00 0.00 0.00 0.00 19.45 20.75 2d8i n ALA 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2d8i s ASP 29 N -6.47 6.74 -0.03 0.00 1.01 -0.67 -5.06 116.67 112.19 2d8i s ASP 29 Ca -0.30 0.89 -0.01 0.00 0.71 0.00 0.00 52.55 53.84 2d8i s ASP 29 Cb 0.07 -2.33 0.03 0.00 1.01 0.00 0.00 42.92 41.70 2d8i s ASP 29 CO 0.43 -0.12 0.03 0.42 0.21 0.00 0.00 175.17 176.15 2d8i s THR 30 N 1.11 -0.01 1.04 -1.27 -4.23 -1.26 -4.02 115.64 107.00 2d8i s THR 30 Ca 0.29 0.26 -0.24 0.00 -1.18 0.00 0.00 61.69 60.82 2d8i s THR 30 Cb -0.16 -0.16 -0.08 0.00 1.34 0.00 0.00 72.50 73.43 2d8i s THR 30 CO 0.12 0.14 -0.94 -1.22 -0.54 0.00 0.00 174.62 172.18 2d8i n TYR 31 N 4.59 -1.53 -0.73 3.99 4.01 -1.26 -4.95 117.16 121.27 2d8i n TYR 31 Ca -0.19 0.44 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 2d8i n TYR 31 Cb 0.50 -1.45 0.01 0.00 -0.31 0.00 0.00 39.34 38.08 2d8i n TYR 31 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2d8i n GLY 32 N 2.94 -0.34 3.77 2.72 0.00 -1.26 -5.03 105.19 107.99 2d8i n GLY 32 Ca -0.01 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 2d8i n GLY 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2d8i s PHE 33 N -0.47 3.30 0.45 1.61 -0.71 -1.26 -3.55 117.98 117.35 2d8i s PHE 33 Ca 0.01 0.25 0.05 0.00 -1.04 0.00 0.00 56.93 56.21 2d8i s PHE 33 Cb 0.01 -1.78 -0.04 0.00 -1.21 0.00 0.00 43.02 40.00 2d8i s PHE 33 CO 0.00 0.56 0.12 -1.12 -1.34 0.00 0.00 175.22 173.44 2d8i s SER 34 N -1.40 4.24 0.00 1.98 0.01 -0.66 -4.97 113.70 112.91 2d8i s SER 34 Ca 0.19 -1.32 0.01 0.00 1.31 0.00 0.00 55.95 56.14 2d8i s SER 34 Cb -0.12 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 2d8i s SER 34 CO 0.09 -0.67 -0.03 -0.76 0.41 0.00 0.00 173.24 172.28 2d8i s LEU 35 N -3.90 2.05 -0.09 2.44 1.43 -1.26 -3.31 118.68 116.03 2d8i s LEU 35 Ca 0.30 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.31 2d8i s LEU 35 Cb 0.04 -0.13 -0.01 0.00 0.03 0.00 0.00 46.19 46.13 2d8i s LEU 35 CO 0.16 -0.01 -0.22 -0.55 0.23 0.00 0.00 176.35 175.97 2d8i s SER 36 N -0.31 3.31 -0.16 2.29 0.15 0.71 -4.93 113.70 114.76 2d8i s SER 36 Ca -0.01 -0.49 -0.18 0.00 0.70 0.00 0.00 55.95 55.98 2d8i s SER 36 Cb -0.03 -1.28 -0.04 0.00 -1.71 0.00 0.00 66.02 62.96 2d8i s SER 36 CO -0.00 0.19 0.46 -0.44 1.20 0.00 0.00 173.24 174.65 2d8i s SER 37 N 0.17 6.60 -0.13 5.45 0.01 -1.26 -1.56 113.70 122.97 2d8i s SER 37 Ca -0.12 0.71 -0.00 0.00 1.31 0.00 0.00 55.95 57.84 2d8i s SER 37 Cb -0.16 -2.27 0.03 0.00 0.21 0.00 0.00 66.02 63.83 2d8i s SER 37 CO 0.07 -0.05 -0.07 -0.69 0.41 0.00 0.00 173.24 172.90 2d8i s VAL 38 N 1.00 1.09 -0.34 3.43 1.01 0.31 -4.99 120.40 121.92 2d8i s VAL 38 Ca 0.24 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 61.56 2d8i s VAL 38 Cb -0.15 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.08 2d8i s VAL 38 CO 0.09 0.29 0.77 -0.70 0.00 0.00 0.00 175.10 175.55 2d8i s GLU 39 N 1.67 3.84 -0.46 2.72 2.12 -1.26 -1.42 118.70 125.90 2d8i s GLU 39 Ca 0.03 0.41 -0.06 0.00 0.36 0.00 0.00 54.97 55.71 2d8i s GLU 39 Cb -0.13 -3.77 0.12 0.00 0.26 0.00 0.00 34.13 30.60 2d8i s GLU 39 CO -0.08 -0.76 0.30 -2.00 -0.54 0.00 0.00 175.26 172.18 2d8i s GLU 40 N 3.00 2.31 -1.47 4.30 2.12 0.36 -4.67 118.70 124.64 2d8i s GLU 40 Ca 0.31 -1.84 -0.08 0.00 0.36 0.00 0.00 54.97 53.72 2d8i s GLU 40 Cb -0.14 -3.79 0.05 0.00 0.26 0.00 0.00 34.13 30.52 2d8i s GLU 40 CO 0.15 -1.15 0.73 -3.47 -0.54 0.00 0.00 175.26 170.98 2d8i n ASP 41 N 4.69 -2.46 0.00 -1.70 2.03 -1.26 -0.27 116.55 117.57 2d8i n ASP 41 Ca -0.04 -0.89 0.00 0.00 0.52 0.00 0.00 54.79 54.38 2d8i n ASP 41 Cb 0.41 -3.52 0.00 0.00 -0.72 0.00 0.00 41.12 37.29 2d8i n ASP 41 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2d8i n GLY 42 N -1.69 2.92 3.56 0.27 0.00 -1.26 -4.99 105.19 104.00 2d8i n GLY 42 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2d8i n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d8i s ILE 43 N -1.86 3.90 0.25 -0.61 1.01 0.63 -5.00 121.20 119.53 2d8i s ILE 43 Ca 0.00 0.64 -0.30 0.00 0.00 0.00 0.00 60.65 60.99 2d8i s ILE 43 Cb 0.00 -4.81 -0.09 0.00 0.01 0.00 0.00 42.46 37.57 2d8i s ILE 43 CO 0.00 -1.57 1.13 -0.60 0.00 0.00 0.00 174.94 173.90 2d8i s ARG 44 N 5.25 4.59 0.01 2.79 3.52 -1.26 -0.49 118.95 133.36 2d8i s ARG 44 Ca 0.39 1.83 -0.04 0.00 -0.13 0.00 0.00 55.73 57.77 2d8i s ARG 44 Cb -0.08 -3.21 -0.01 0.00 -1.56 0.00 0.00 34.95 30.10 2d8i s ARG 44 CO 0.20 0.11 0.07 1.03 -0.81 0.00 0.00 175.30 175.91 2d8i s ARG 45 N -1.08 0.43 0.08 5.12 1.81 -0.51 -4.66 118.95 120.14 2d8i s ARG 45 Ca 0.47 -0.51 0.07 0.00 -1.72 0.00 0.00 55.73 54.04 2d8i s ARG 45 Cb -0.32 0.17 -0.04 0.00 -0.45 0.00 0.00 34.95 34.31 2d8i s ARG 45 CO 0.40 -0.09 -0.15 -0.51 -0.68 0.00 0.00 175.30 174.27 2d8i s LEU 46 N -1.49 2.82 0.05 2.53 2.01 -1.26 -0.53 118.68 122.81 2d8i s LEU 46 Ca -0.14 -0.42 -0.05 0.00 0.01 0.00 0.00 54.13 53.52 2d8i s LEU 46 Cb -0.08 -1.65 -0.01 0.00 0.01 0.00 0.00 46.19 44.46 2d8i s LEU 46 CO 0.00 0.21 0.09 -0.31 1.01 0.00 0.00 176.35 177.36 2d8i s TYR 47 N -1.08 0.25 -0.23 0.29 1.51 -0.60 -1.39 117.35 116.11 2d8i s TYR 47 Ca 0.18 -0.63 -0.16 0.00 -1.01 0.00 0.00 57.07 55.45 2d8i s TYR 47 Cb -0.11 -0.17 -0.04 0.00 -0.11 0.00 0.00 41.96 41.53 2d8i s TYR 47 CO 0.09 -0.41 0.40 0.08 -1.11 0.00 0.00 175.55 174.60 2d8i s VAL 48 N -3.13 5.18 -0.19 0.71 1.01 -1.04 -0.21 120.40 122.73 2d8i s VAL 48 Ca -0.01 0.66 -0.16 0.00 0.00 0.00 0.00 61.98 62.48 2d8i s VAL 48 Cb 0.02 -3.72 -0.12 0.00 0.00 0.00 0.00 36.38 32.56 2d8i s VAL 48 CO -0.07 0.20 -0.02 -3.20 0.00 0.00 0.00 175.10 172.01 2d8i n ASN 49 N 4.91 1.86 -4.31 3.32 5.15 -1.21 0.18 115.26 125.15 2d8i n ASN 49 Ca -0.08 0.48 -0.21 0.00 -0.60 0.00 0.00 54.58 54.18 2d8i n ASN 49 Cb 0.51 -0.90 -0.11 0.00 -0.53 0.00 0.00 39.78 38.74 2d8i n ASN 49 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2d8i s SER 50 N -6.48 2.51 -0.01 1.20 1.04 -1.26 -4.30 113.70 106.41 2d8i s SER 50 Ca -0.25 -0.86 -0.08 0.00 0.48 0.00 0.00 55.95 55.24 2d8i s SER 50 Cb 0.05 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.05 2d8i s SER 50 CO 0.44 -0.07 0.16 -0.69 0.98 0.00 0.00 173.24 174.05 2d8i s VAL 51 N -2.16 0.07 0.21 5.02 1.01 -1.26 -1.66 120.40 121.64 2d8i s VAL 51 Ca 0.15 -0.61 -0.32 0.00 0.00 0.00 0.00 61.98 61.20 2d8i s VAL 51 Cb -0.05 -0.43 -0.14 0.00 0.00 0.00 0.00 36.38 35.75 2d8i s VAL 51 CO 0.06 -0.33 1.31 0.29 0.00 0.00 0.00 175.10 176.43 2d8i n LYS 52 N 1.57 1.69 -0.02 2.72 5.02 -1.23 -4.84 118.16 123.07 2d8i n LYS 52 Ca -0.22 0.60 -0.16 0.00 -2.02 0.00 0.00 58.31 56.52 2d8i n LYS 52 Cb 0.56 -2.20 -0.09 0.00 -0.02 0.00 0.00 35.03 33.28 2d8i n LYS 52 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 2d8i h GLU 53 N 3.92 0.43 -0.96 1.97 4.11 -2.00 -3.36 114.58 118.68 2d8i h GLU 53 Ca -0.44 -0.37 -0.42 0.00 0.07 0.00 0.00 59.36 58.20 2d8i h GLU 53 Cb 1.30 0.08 -0.41 0.00 0.50 0.00 0.00 28.75 30.22 2d8i h GLU 53 CO 0.74 1.01 -1.01 0.25 0.07 0.00 0.00 179.01 180.06 2d8i n THR 54 N -4.31 1.62 0.00 -1.06 -2.24 -1.26 -4.87 114.28 102.17 2d8i n THR 54 Ca -0.09 -3.66 0.00 0.00 -2.27 0.00 0.00 64.05 58.04 2d8i n THR 54 Cb 0.57 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2d8i n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2d8i n GLY 55 N -0.39 2.05 0.20 3.38 0.00 -1.26 -5.06 105.19 104.12 2d8i n GLY 55 Ca 0.21 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 2d8i n GLY 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d8i n LEU 56 N 0.00 1.82 0.00 0.99 4.77 -1.26 -4.31 117.00 119.01 2d8i n LEU 56 Ca 0.00 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2d8i n LEU 56 Cb 0.00 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 2d8i n LEU 56 CO 0.00 -0.05 0.32 0.00 -1.33 0.00 0.00 177.39 176.33 2d8i n ALA 57 N -4.28 0.00 -0.20 -1.18 0.00 -1.26 -0.95 120.51 112.64 2d8i n ALA 57 Ca -0.24 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.12 2d8i n ALA 57 Cb 0.59 0.32 -0.06 0.00 0.00 0.00 0.00 19.45 20.29 2d8i n ALA 57 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2d8i h SER 58 N 0.00 -1.32 -0.81 0.00 0.87 -1.71 -0.84 113.55 109.73 2d8i h SER 58 Ca 0.00 0.19 0.09 0.00 -1.23 0.00 0.00 61.79 60.84 2d8i h SER 58 Cb 0.00 0.57 -0.11 0.00 -0.44 0.00 0.00 62.40 62.42 2d8i h SER 58 CO 0.00 -0.19 -0.42 0.29 -0.53 0.00 0.00 176.83 175.98 2d8i n LYS 59 N -4.44 -0.30 0.06 2.24 5.02 -0.71 -1.04 118.16 119.00 2d8i n LYS 59 Ca -0.00 1.24 -0.08 0.00 -2.02 0.00 0.00 58.31 57.45 2d8i n LYS 59 Cb 0.19 -1.83 -0.05 0.00 -0.02 0.00 0.00 35.03 33.32 2d8i n LYS 59 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2d8i h LYS 60 N 0.00 -0.36 0.00 1.97 1.79 0.36 -3.46 116.57 116.86 2d8i h LYS 60 Ca 0.19 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2d8i h LYS 60 Cb 0.39 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2d8i h LYS 60 CO -0.78 -0.24 0.00 0.41 -1.08 0.00 0.00 179.45 177.76 2d8i n GLY 61 N -1.24 0.03 3.18 3.86 0.00 -0.21 -5.12 105.19 105.69 2d8i n GLY 61 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 2d8i n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d8i n LEU 62 N 0.00 -3.48 -3.60 0.99 4.77 -1.14 -4.89 117.00 109.65 2d8i n LEU 62 Ca 0.00 0.23 -0.08 0.00 -0.03 0.00 0.00 56.01 56.13 2d8i n LEU 62 Cb 0.00 -0.94 -0.05 0.00 -2.33 0.00 0.00 43.42 40.10 2d8i n LEU 62 CO 0.00 -4.88 0.89 -0.75 -1.33 0.00 0.00 177.39 171.32 2d8i s LYS 63 N -2.71 0.42 -0.48 3.23 2.20 -1.26 -4.11 119.74 117.03 2d8i s LYS 63 Ca 0.47 0.16 -0.30 0.00 -0.36 0.00 0.00 55.97 55.95 2d8i s LYS 63 Cb -0.18 0.20 -0.10 0.00 -1.51 0.00 0.00 37.83 36.24 2d8i s LYS 63 CO 0.76 -0.12 2.36 0.00 -0.36 0.00 0.00 175.35 177.99 2d8i n ALA 64 N 0.91 0.98 0.00 3.13 0.00 -1.26 -2.96 120.51 121.31 2d8i n ALA 64 Ca -0.08 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2d8i n ALA 64 Cb 0.58 -2.84 0.00 0.00 0.00 0.00 0.00 19.45 17.18 2d8i n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d8i n GLY 65 N 6.19 0.98 3.86 0.00 0.00 0.48 -4.93 105.19 111.77 2d8i n GLY 65 Ca 0.41 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.19 2d8i n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2d8i s ASP 66 N -1.24 4.75 -0.22 1.61 1.11 -1.15 -4.89 116.67 116.64 2d8i s ASP 66 Ca 0.00 -1.01 0.02 0.00 0.18 0.00 0.00 52.55 51.74 2d8i s ASP 66 Cb 0.00 -0.17 0.05 0.00 1.07 0.00 0.00 42.92 43.87 2d8i s ASP 66 CO 0.00 -0.81 -0.12 -0.70 1.18 0.00 0.00 175.17 174.72 2d8i s GLU 67 N -4.15 2.25 0.17 8.23 2.56 -1.26 -2.48 118.70 124.02 2d8i s GLU 67 Ca 0.41 -1.05 -0.21 0.00 0.00 0.00 0.00 54.97 54.13 2d8i s GLU 67 Cb -0.01 -2.64 -0.08 0.00 2.00 0.00 0.00 34.13 33.40 2d8i s GLU 67 CO 0.24 -0.46 0.71 0.42 -0.56 0.00 0.00 175.26 175.61 2d8i s ILE 68 N 1.26 4.54 -0.00 -3.70 -1.09 -0.48 -3.54 121.20 118.19 2d8i s ILE 68 Ca -0.03 1.40 0.00 0.00 -2.23 0.00 0.00 60.65 59.79 2d8i s ILE 68 Cb -0.17 -3.96 -0.00 0.00 -1.58 0.00 0.00 42.46 36.75 2d8i s ILE 68 CO -0.08 0.39 -0.00 0.18 -1.23 0.00 0.00 174.94 174.20 2d8i n LEU 69 N 1.23 2.30 -3.70 2.97 4.77 -0.31 -4.22 117.00 120.05 2d8i n LEU 69 Ca -0.05 -0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.80 2d8i n LEU 69 Cb 0.50 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 2d8i n LEU 69 CO 0.44 0.38 0.11 -1.61 -1.33 0.00 0.00 177.39 175.38 2d8i s GLU 70 N -2.00 0.86 -0.29 3.23 8.01 -1.22 -4.02 118.70 123.27 2d8i s GLU 70 Ca -0.00 -0.36 -0.01 0.00 0.01 0.00 0.00 54.97 54.61 2d8i s GLU 70 Cb 0.00 0.38 0.09 0.00 -4.31 0.00 0.00 34.13 30.29 2d8i s GLU 70 CO 0.00 -0.28 0.08 0.42 0.01 0.00 0.00 175.26 175.49 2d8i s ILE 71 N -2.30 0.86 -1.03 -1.63 1.01 0.42 -1.81 121.20 116.73 2d8i s ILE 71 Ca -0.06 -1.25 -0.01 0.00 0.00 0.00 0.00 60.65 59.32 2d8i s ILE 71 Cb -0.01 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.88 2d8i s ILE 71 CO -0.01 -0.57 0.86 0.59 0.00 0.00 0.00 174.94 175.81 2d8i n ASN 72 N 4.87 -2.47 -2.14 3.58 4.13 -0.65 -2.49 115.26 120.09 2d8i n ASN 72 Ca -0.04 -0.52 -0.17 0.00 1.68 0.00 0.00 54.58 55.53 2d8i n ASN 72 Cb 0.43 -4.40 0.01 0.00 -1.54 0.00 0.00 39.78 34.28 2d8i n ASN 72 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2d8i n ASN 73 N -2.74 -5.11 -4.00 6.41 3.02 -1.26 -5.00 115.26 106.58 2d8i n ASN 73 Ca -0.21 -0.10 -0.21 0.00 -0.03 0.00 0.00 54.58 54.02 2d8i n ASN 73 Cb 0.63 -4.11 -0.16 0.00 -0.61 0.00 0.00 39.78 35.53 2d8i n ASN 73 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2d8i s ARG 74 N -5.08 1.13 -0.23 3.52 1.81 -1.04 -5.11 118.95 113.95 2d8i s ARG 74 Ca 0.09 -0.31 -0.29 0.00 -1.72 0.00 0.00 55.73 53.50 2d8i s ARG 74 Cb -0.04 -1.03 -0.01 0.00 -0.45 0.00 0.00 34.95 33.43 2d8i s ARG 74 CO 0.11 0.07 1.31 0.00 -0.68 0.00 0.00 175.30 176.12 2d8i s ALA 75 N 0.39 3.50 0.16 2.13 0.00 -1.26 -0.44 121.76 126.24 2d8i s ALA 75 Ca -0.07 0.30 -0.28 0.00 0.00 0.00 0.00 51.96 51.91 2d8i s ALA 75 Cb -0.11 -3.71 -0.03 0.00 0.00 0.00 0.00 23.12 19.26 2d8i s ALA 75 CO 0.01 -1.51 1.45 0.00 0.00 0.00 0.00 175.76 175.71 2d8i n ALA 76 N 7.21 -0.55 -0.32 0.00 0.00 -1.26 0.14 120.51 125.74 2d8i n ALA 76 Ca 0.15 0.81 0.20 0.00 0.00 0.00 0.00 53.44 54.60 2d8i n ALA 76 Cb 0.46 -0.16 0.47 0.00 0.00 0.00 0.00 19.45 20.21 2d8i n ALA 76 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2d8i h ASP 77 N 0.00 0.52 0.78 0.00 3.04 -1.91 0.66 116.42 119.51 2d8i h ASP 77 Ca 0.17 0.09 -0.09 0.00 -3.24 0.00 0.00 57.03 53.96 2d8i h ASP 77 Cb 0.40 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.69 2d8i h ASP 77 CO -0.89 0.12 -0.43 0.00 -2.04 0.00 0.00 179.24 176.00 2d8i h ALA 78 N 1.64 1.00 -2.38 4.15 0.00 0.89 -3.44 119.26 121.12 2d8i h ALA 78 Ca 0.59 -0.39 -0.50 0.00 0.00 0.00 0.00 54.91 54.61 2d8i h ALA 78 Cb 1.36 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2d8i h ALA 78 CO -0.32 0.54 0.10 -0.51 0.00 0.00 0.00 179.25 179.06 2d8i s LEU 79 N -7.22 4.16 0.30 0.00 1.43 0.23 -4.99 118.68 112.58 2d8i s LEU 79 Ca -0.00 1.33 0.10 0.00 -1.03 0.00 0.00 54.13 54.53 2d8i s LEU 79 Cb 0.11 -3.91 -0.05 0.00 0.03 0.00 0.00 46.19 42.37 2d8i s LEU 79 CO 0.71 -0.13 -0.03 0.20 0.23 0.00 0.00 176.35 177.33 2d8i s ASN 80 N -2.06 4.21 0.37 2.29 0.01 -1.26 -4.91 114.94 113.60 2d8i s ASN 80 Ca 0.50 -0.86 0.21 0.00 -0.71 0.00 0.00 52.86 52.01 2d8i s ASN 80 Cb -0.12 -0.61 1.32 0.00 0.41 0.00 0.00 41.25 42.25 2d8i s ASN 80 CO 0.19 -0.09 1.60 0.77 -1.51 0.00 0.00 177.10 178.05 2d8i h SER 81 N 1.93 0.34 -0.81 -1.22 4.64 -1.98 1.14 113.55 117.58 2d8i h SER 81 Ca -0.43 0.24 0.03 0.00 -0.47 0.00 0.00 61.79 61.15 2d8i h SER 81 Cb 1.25 0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 63.53 2d8i h SER 81 CO 0.63 -0.37 0.53 -1.28 -0.87 0.00 0.00 176.83 175.47 2d8i h SER 82 N 0.06 0.88 0.74 4.97 0.87 -2.00 -2.70 113.55 116.36 2d8i h SER 82 Ca 0.83 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 61.35 2d8i h SER 82 Cb 2.22 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 63.98 2d8i h SER 82 CO -0.71 0.62 -0.35 0.24 -0.53 0.00 0.00 176.83 176.10 2d8i h MET 83 N 1.04 -0.95 -0.96 2.24 2.86 0.96 -2.70 114.93 117.42 2d8i h MET 83 Ca 0.32 0.07 0.30 0.00 -2.06 0.00 0.00 59.70 58.32 2d8i h MET 83 Cb -0.03 0.22 -0.18 0.00 0.06 0.00 0.00 31.60 31.67 2d8i h MET 83 CO -0.10 -0.64 0.14 1.28 1.06 0.00 0.00 176.91 178.65 2d8i n LEU 84 N -5.19 -0.01 0.07 1.22 4.77 -0.97 0.62 117.00 117.51 2d8i n LEU 84 Ca -0.12 1.62 -0.13 0.00 -0.03 0.00 0.00 56.01 57.35 2d8i n LEU 84 Cb 0.39 -0.64 -0.07 0.00 -2.33 0.00 0.00 43.42 40.77 2d8i n LEU 84 CO 0.30 -1.68 0.83 0.50 -1.33 0.00 0.00 177.39 176.01 2d8i h LYS 85 N 0.00 -0.09 -0.25 3.23 3.64 -1.41 -1.33 116.57 120.36 2d8i h LYS 85 Ca 0.64 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 60.07 2d8i h LYS 85 Cb 1.43 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.23 2d8i h LYS 85 CO -0.86 -0.03 -0.00 0.22 -2.27 0.00 0.00 179.45 176.50 2d8i h ASP 86 N -0.12 -0.11 0.24 4.20 3.58 0.52 -1.71 116.42 123.02 2d8i h ASP 86 Ca -0.01 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.50 2d8i h ASP 86 Cb 0.10 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 2d8i h ASP 86 CO 0.02 -0.02 -0.32 -0.26 -2.88 0.00 0.00 179.24 175.77 2d8i h PHE 87 N 0.07 -0.88 0.00 0.28 0.04 -0.92 -0.27 116.94 115.26 2d8i h PHE 87 Ca 0.12 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.90 2d8i h PHE 87 Cb 0.15 0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.66 2d8i h PHE 87 CO -0.20 -0.45 0.18 -0.07 -0.60 0.00 0.00 178.31 177.17 2d8i h LEU 88 N -0.63 0.00 -0.17 1.54 3.38 -1.01 0.30 115.31 118.72 2d8i h LEU 88 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2d8i h LEU 88 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2d8i h LEU 88 CO -0.11 0.00 0.00 -0.24 0.09 0.00 0.00 178.44 178.18 2d8i n SER 89 N -2.82 0.25 -4.45 -0.43 2.88 -0.11 -4.79 113.62 104.15 2d8i n SER 89 Ca -0.02 -1.85 -0.30 0.00 -1.33 0.00 0.00 58.87 55.37 2d8i n SER 89 Cb 0.23 -0.03 -0.13 0.00 -0.75 0.00 0.00 64.21 63.54 2d8i n SER 89 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2d8i s GLN 90 N -1.94 1.88 0.51 -1.46 -0.21 0.11 -5.02 119.66 113.52 2d8i s GLN 90 Ca 0.10 -1.09 0.29 0.00 0.02 0.00 0.00 55.36 54.68 2d8i s GLN 90 Cb 0.05 -2.11 1.23 0.00 1.00 0.00 0.00 33.01 33.18 2d8i s GLN 90 CO 0.08 0.51 1.94 -1.00 -2.12 0.00 0.00 175.29 174.70 2d8i h PRO 91 N 4.26 0.00 -5.32 2.91 0.13 -1.85 -3.42 132.00 128.70 2d8i h PRO 91 Ca -0.49 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.97 2d8i h PRO 91 Cb 1.16 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.98 2d8i h PRO 91 CO 0.46 0.11 -0.84 -1.54 -0.23 0.00 0.00 178.00 175.96 2d8i s SER 92 N -5.94 3.44 0.04 1.44 1.04 -1.26 0.73 113.70 113.19 2d8i s SER 92 Ca 0.00 -0.47 -0.05 0.00 0.48 0.00 0.00 55.95 55.91 2d8i s SER 92 Cb 0.10 -1.49 -0.01 0.00 0.10 0.00 0.00 66.02 64.72 2d8i s SER 92 CO 0.58 0.16 0.09 -0.76 0.98 0.00 0.00 173.24 174.29 2d8i s LEU 93 N 0.37 1.84 -0.11 2.42 1.02 -0.70 -5.01 118.68 118.51 2d8i s LEU 93 Ca -0.15 -0.58 0.01 0.00 0.02 0.00 0.00 54.13 53.43 2d8i s LEU 93 Cb -0.17 0.59 0.02 0.00 0.02 0.00 0.00 46.19 46.65 2d8i s LEU 93 CO 0.07 -0.53 -0.11 -0.83 0.02 0.00 0.00 176.35 174.98 2d8i s GLY 94 N -2.23 0.91 -0.16 -3.19 0.00 -1.26 -1.79 107.32 99.60 2d8i s GLY 94 Ca -0.04 -0.63 0.01 0.00 0.00 0.00 0.00 44.72 44.07 2d8i s GLY 94 CO -0.05 0.54 -0.18 1.08 0.00 0.00 0.00 173.10 174.49 2d8i s LEU 95 N 1.37 2.28 -0.49 0.66 1.43 -0.11 -1.63 118.68 122.19 2d8i s LEU 95 Ca -0.00 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 2d8i s LEU 95 Cb -0.14 -1.51 0.12 0.00 0.03 0.00 0.00 46.19 44.69 2d8i s LEU 95 CO -0.06 0.06 0.39 -0.22 0.23 0.00 0.00 176.35 176.75 2d8i s LEU 96 N 0.97 5.82 0.29 1.79 2.96 -0.75 -1.00 118.68 128.76 2d8i s LEU 96 Ca -0.03 -1.82 0.10 0.00 -0.22 0.00 0.00 54.13 52.16 2d8i s LEU 96 Cb -0.15 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 2d8i s LEU 96 CO -0.04 -0.73 -0.04 0.68 -1.32 0.00 0.00 176.35 174.90 2d8i s VAL 97 N 1.46 3.03 -0.09 1.68 -7.23 -0.98 -1.16 120.40 117.11 2d8i s VAL 97 Ca 0.05 -2.03 -0.02 0.00 -1.81 0.00 0.00 61.98 58.17 2d8i s VAL 97 Cb -0.27 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 2d8i s VAL 97 CO 0.01 -0.33 0.00 -0.60 -0.31 0.00 0.00 175.10 173.87 2d8i s ARG 98 N -3.65 3.00 0.05 4.82 3.52 -1.23 -0.59 118.95 124.87 2d8i s ARG 98 Ca 0.32 -0.40 -0.14 0.00 -0.13 0.00 0.00 55.73 55.38 2d8i s ARG 98 Cb -0.05 -2.80 0.02 0.00 -1.56 0.00 0.00 34.95 30.56 2d8i s ARG 98 CO 0.19 0.70 0.30 -0.08 -0.81 0.00 0.00 175.30 175.60 2d8i s THR 99 N -0.86 0.09 0.18 4.11 -1.32 0.66 -4.73 115.64 113.77 2d8i s THR 99 Ca 0.13 -0.71 -0.30 0.00 -1.21 0.00 0.00 61.69 59.60 2d8i s THR 99 Cb -0.11 -0.99 -0.08 0.00 -1.51 0.00 0.00 72.50 69.82 2d8i s THR 99 CO 0.02 -0.39 0.95 -0.31 -2.21 0.00 0.00 174.62 172.68 2d8i s TYR 100 N -2.74 3.90 0.12 9.09 2.02 -1.26 -0.11 117.35 128.37 2d8i s TYR 100 Ca -0.04 1.86 -0.31 0.00 -0.37 0.00 0.00 57.07 58.22 2d8i s TYR 100 Cb -0.00 -3.02 -0.08 0.00 -0.40 0.00 0.00 41.96 38.46 2d8i s TYR 100 CO -0.05 0.32 1.35 -1.25 -1.57 0.00 0.00 175.55 174.36 2d8i s PRO 101 N -0.63 4.34 0.71 -1.71 0.04 -1.26 -4.91 135.00 131.58 2d8i s PRO 101 Ca 0.44 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.46 2d8i s PRO 101 Cb -0.25 -3.25 0.09 0.00 0.04 0.00 0.00 34.50 31.13 2d8i s PRO 101 CO 0.31 -0.39 1.01 -1.21 0.04 0.00 0.00 177.00 176.76 2d8i s GLU 102 N 0.93 1.95 0.00 4.56 8.01 -1.26 -4.99 118.70 127.90 2d8i s GLU 102 Ca 0.63 -0.56 0.20 0.00 0.01 0.00 0.00 54.97 55.25 2d8i s GLU 102 Cb -0.36 -2.22 0.54 0.00 -4.31 0.00 0.00 34.13 27.79 2d8i s GLU 102 CO 0.31 -1.34 1.44 1.47 0.01 0.00 0.00 175.26 177.16 2d8i n LEU 103 N -2.91 2.63 -1.41 1.80 -0.00 -1.26 -4.10 117.00 111.76 2d8i n LEU 103 Ca 0.10 -1.19 -0.00 0.00 -0.00 0.00 0.00 56.01 54.92 2d8i n LEU 103 Cb 0.60 -0.23 0.20 0.00 -0.00 0.00 0.00 43.42 43.99 2d8i n LEU 103 CO 0.48 0.59 0.70 -1.84 -0.00 0.00 0.00 177.39 177.32 2d8i n GLU 104 N 0.95 2.87 -3.91 1.47 0.28 -1.26 -4.87 120.64 116.16 2d8i n GLU 104 Ca 0.18 -1.79 -0.09 0.00 -0.16 0.00 0.00 57.16 55.29 2d8i n GLU 104 Cb 0.46 -1.88 -0.09 0.00 1.43 0.00 0.00 31.44 31.36 2d8i n GLU 104 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2d8i s GLU 105 N -1.98 0.63 0.00 3.44 -1.05 -1.26 -5.06 118.70 113.43 2d8i s GLU 105 Ca 0.32 -0.75 0.00 0.00 -0.15 0.00 0.00 54.97 54.38 2d8i s GLU 105 Cb 0.25 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 2d8i s GLU 105 CO 0.08 -0.17 0.00 0.41 0.95 0.00 0.00 175.26 176.54 2d8i n GLY 106 N 0.66 1.33 3.39 -3.83 0.00 -1.26 -4.92 105.19 100.56 2d8i n GLY 106 Ca -0.18 -0.98 -0.45 0.00 0.00 0.00 0.00 46.02 44.41 2d8i n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d8i s VAL 107 N 0.00 4.95 0.61 1.61 1.01 -1.26 -5.04 120.40 122.29 2d8i s VAL 107 Ca 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 61.98 60.42 2d8i s VAL 107 Cb 0.00 -4.59 0.02 0.00 0.00 0.00 0.00 36.38 31.81 2d8i s VAL 107 CO 0.00 -1.25 0.92 -1.83 0.00 0.00 0.00 175.10 172.95 2d8i s GLU 108 N 2.16 2.76 -0.19 2.72 4.04 -1.26 -5.09 118.70 123.84 2d8i s GLU 108 Ca 0.20 -0.08 -0.01 0.00 0.04 0.00 0.00 54.97 55.13 2d8i s GLU 108 Cb -0.14 -2.26 0.05 0.00 0.02 0.00 0.00 34.13 31.80 2d8i s GLU 108 CO -0.02 -0.81 -0.03 -1.12 -1.84 0.00 0.00 175.26 171.43 2d8i s SER 109 N -4.35 3.11 0.00 0.83 0.01 -1.26 -5.05 113.70 106.99 2d8i s SER 109 Ca 0.55 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.99 2d8i s SER 109 Cb -0.11 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 65.21 2d8i s SER 109 CO 0.45 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.49 2d8i n GLY 110 N 4.86 0.61 3.73 3.44 0.00 -1.26 -4.37 105.19 112.20 2d8i n GLY 110 Ca -0.11 0.80 -0.41 0.00 0.00 0.00 0.00 46.02 46.29 2d8i n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8i s PRO 111 N 0.00 4.39 -0.62 1.61 0.04 -1.26 -5.00 135.00 134.16 2d8i s PRO 111 Ca 0.00 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.10 2d8i s PRO 111 Cb 0.00 -3.21 0.15 0.00 0.04 0.00 0.00 34.50 31.49 2d8i s PRO 111 CO 0.00 -0.26 0.40 0.45 0.04 0.00 0.00 177.00 177.63 2d8i s SER 112 N 0.43 4.83 0.17 6.66 0.15 -1.26 -5.08 113.70 119.60 2d8i s SER 112 Ca 0.57 -3.18 -0.30 0.00 0.70 0.00 0.00 55.95 53.74 2d8i s SER 112 Cb -0.36 -1.73 -0.08 0.00 -1.71 0.00 0.00 66.02 62.14 2d8i s SER 112 CO 0.37 -0.24 1.17 -0.94 1.20 0.00 0.00 173.24 174.80 2d8i s SER 113 N -0.19 7.14 0.00 5.45 1.04 -1.26 -5.18 113.70 120.70 2d8i s SER 113 Ca 0.19 2.17 0.00 0.00 0.48 0.00 0.00 55.95 58.80 2d8i s SER 113 Cb -0.19 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.33 2d8i s SER 113 CO -0.05 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.45