#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8i s SER 2 N 0.00 4.75 -0.02 1.61 0.01 -1.26 -4.88 113.70 113.91 2d8i s SER 2 Ca 0.00 -1.01 0.01 0.00 1.31 0.00 0.00 55.95 56.26 2d8i s SER 2 Cb 0.00 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.67 2d8i s SER 2 CO 0.00 -3.25 -0.04 -0.44 0.41 0.00 0.00 173.24 169.92 2d8i s SER 3 N 7.82 0.73 -0.39 2.44 0.01 -1.26 -5.05 113.70 118.01 2d8i s SER 3 Ca 0.73 -0.10 0.11 0.00 1.31 0.00 0.00 55.95 58.00 2d8i s SER 3 Cb -0.05 -0.25 0.40 0.00 0.21 0.00 0.00 66.02 66.33 2d8i s SER 3 CO 0.08 -0.00 1.19 0.61 0.41 0.00 0.00 173.24 175.52 2d8i n GLY 4 N 3.55 1.42 3.88 3.44 0.00 -1.26 -5.13 105.19 111.09 2d8i n GLY 4 Ca -0.20 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 2d8i n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8i s SER 5 N -1.78 6.23 -0.04 1.61 1.04 -1.26 -5.04 113.70 114.46 2d8i s SER 5 Ca 0.24 0.32 -0.15 0.00 0.48 0.00 0.00 55.95 56.84 2d8i s SER 5 Cb 0.40 -1.93 -0.09 0.00 0.10 0.00 0.00 66.02 64.50 2d8i s SER 5 CO -0.05 0.28 0.63 0.28 0.98 0.00 0.00 173.24 175.36 2d8i h SER 6 N 3.99 -0.45 -4.10 7.02 0.02 -2.08 -3.48 113.55 114.46 2d8i h SER 6 Ca -0.50 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.28 2d8i h SER 6 Cb 1.19 0.12 0.10 0.00 0.14 0.00 0.00 62.40 63.94 2d8i h SER 6 CO 0.67 -0.01 -0.44 0.61 -1.14 0.00 0.00 176.83 176.51 2d8i n GLY 7 N 0.42 -0.04 3.94 -3.77 0.00 -1.26 -5.04 105.19 99.44 2d8i n GLY 7 Ca -0.07 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 2d8i n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2d8i s GLU 8 N -4.66 3.41 -0.87 1.61 2.02 -1.26 -5.01 118.70 113.93 2d8i s GLU 8 Ca 0.03 -0.35 -0.25 0.00 0.02 0.00 0.00 54.97 54.42 2d8i s GLU 8 Cb -0.00 -2.63 0.02 0.00 0.10 0.00 0.00 34.13 31.62 2d8i s GLU 8 CO 0.41 0.05 1.51 0.42 0.02 0.00 0.00 175.26 177.67 2d8i s ILE 9 N -2.38 3.73 1.06 -1.63 1.09 -1.26 -4.99 121.20 116.83 2d8i s ILE 9 Ca 0.42 -0.24 -0.12 0.00 -1.10 0.00 0.00 60.65 59.61 2d8i s ILE 9 Cb -0.10 -4.76 0.23 0.00 -1.06 0.00 0.00 42.46 36.77 2d8i s ILE 9 CO 0.37 -1.68 1.06 -1.61 -0.10 0.00 0.00 174.94 172.99 2d8i s GLU 10 N 5.71 -0.13 -0.08 2.79 2.02 -1.26 -4.98 118.70 122.76 2d8i s GLU 10 Ca 0.48 0.90 -0.17 0.00 0.02 0.00 0.00 54.97 56.20 2d8i s GLU 10 Cb -0.05 -1.64 -0.29 0.00 0.10 0.00 0.00 34.13 32.26 2d8i s GLU 10 CO 0.02 -3.21 0.66 0.82 0.02 0.00 0.00 175.26 173.57 2d8i h ILE 11 N -2.26 1.15 -2.93 -1.63 2.04 -2.08 -3.41 117.51 108.40 2d8i h ILE 11 Ca -0.56 -2.45 -0.62 0.00 1.00 0.00 0.00 64.86 62.24 2d8i h ILE 11 Cb 1.32 2.84 -0.42 0.00 -0.74 0.00 0.00 36.82 39.82 2d8i h ILE 11 CO 0.51 0.72 -0.60 0.00 0.00 0.00 0.00 178.15 178.77 2d8i n PRO 13 N 1.86 -2.34 -4.16 0.00 -0.04 -1.26 -4.99 135.00 124.06 2d8i n PRO 13 Ca 0.22 -1.09 -0.25 0.00 -0.04 0.00 0.00 63.50 62.34 2d8i n PRO 13 Cb 0.37 -1.02 -0.07 0.00 -0.04 0.00 0.00 33.50 32.74 2d8i n PRO 13 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2d8i s LYS 14 N -4.54 2.22 0.02 0.54 1.02 -1.26 -4.21 119.74 113.52 2d8i s LYS 14 Ca 0.44 -1.90 0.00 0.00 0.02 0.00 0.00 55.97 54.54 2d8i s LYS 14 Cb -0.04 -1.96 -0.02 0.00 -0.52 0.00 0.00 37.83 35.30 2d8i s LYS 14 CO 0.34 -0.17 -0.03 0.14 -0.92 0.00 0.00 175.35 174.71 2d8i s VAL 15 N -2.63 0.13 0.27 3.17 -7.23 0.95 -4.88 120.40 110.18 2d8i s VAL 15 Ca 0.38 -0.69 -0.25 0.00 -1.81 0.00 0.00 61.98 59.61 2d8i s VAL 15 Cb 0.03 -0.23 -0.09 0.00 0.56 0.00 0.00 36.38 36.65 2d8i s VAL 15 CO 0.21 -0.36 0.88 0.42 -0.31 0.00 0.00 175.10 175.95 2d8i s THR 16 N -1.08 4.28 -0.07 5.32 -4.23 -1.26 -0.08 115.64 118.52 2d8i s THR 16 Ca -0.11 1.75 0.02 0.00 -1.18 0.00 0.00 61.69 62.16 2d8i s THR 16 Cb -0.07 -4.05 0.01 0.00 1.34 0.00 0.00 72.50 69.73 2d8i s THR 16 CO -0.01 0.25 -0.12 -1.58 -0.54 0.00 0.00 174.62 172.62 2d8i s GLN 17 N -1.80 1.75 -0.59 3.99 0.74 0.24 -4.92 119.66 119.07 2d8i s GLN 17 Ca 0.46 -0.42 -0.20 0.00 0.05 0.00 0.00 55.36 55.24 2d8i s GLN 17 Cb -0.20 -1.46 0.08 0.00 1.10 0.00 0.00 33.01 32.54 2d8i s GLN 17 CO 0.25 0.01 0.77 -1.54 -0.55 0.00 0.00 175.29 174.22 2d8i s SER 18 N 0.73 6.19 -0.06 6.67 1.04 -1.26 -2.48 113.70 124.53 2d8i s SER 18 Ca -0.13 -1.19 -0.18 0.00 0.48 0.00 0.00 55.95 54.93 2d8i s SER 18 Cb -0.16 -2.33 -0.05 0.00 0.10 0.00 0.00 66.02 63.58 2d8i s SER 18 CO 0.03 -1.16 0.48 -0.63 0.98 0.00 0.00 173.24 172.93 2d8i s ILE 19 N 3.08 5.08 -0.16 -1.02 1.01 -0.42 -4.99 121.20 123.79 2d8i s ILE 19 Ca 0.16 0.97 -0.01 0.00 0.00 0.00 0.00 60.65 61.77 2d8i s ILE 19 Cb -0.21 -3.81 0.04 0.00 0.01 0.00 0.00 42.46 38.49 2d8i s ILE 19 CO 0.09 0.42 -0.03 -2.28 0.00 0.00 0.00 174.94 173.13 2d8i s HIS 20 N -0.02 1.46 0.09 3.97 2.46 -1.26 -1.52 115.29 120.46 2d8i s HIS 20 Ca 0.26 -0.93 0.02 0.00 0.47 0.00 0.00 55.06 54.88 2d8i s HIS 20 Cb -0.16 -1.20 -0.04 0.00 -0.13 0.00 0.00 32.58 31.05 2d8i s HIS 20 CO 0.12 -0.58 0.18 0.42 -2.47 0.00 0.00 174.74 172.41 2d8i s ILE 21 N 1.71 5.07 -0.11 0.89 1.01 0.11 -4.94 121.20 124.94 2d8i s ILE 21 Ca 0.01 -0.59 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 2d8i s ILE 21 Cb -0.15 -3.49 0.03 0.00 0.01 0.00 0.00 42.46 38.86 2d8i s ILE 21 CO -0.07 0.09 0.30 -1.61 0.00 0.00 0.00 174.94 173.64 2d8i s GLU 22 N -2.62 0.34 0.37 2.79 2.02 -1.26 -1.23 118.70 119.10 2d8i s GLU 22 Ca 0.33 0.45 0.08 0.00 0.02 0.00 0.00 54.97 55.85 2d8i s GLU 22 Cb -0.12 0.13 -0.05 0.00 0.10 0.00 0.00 34.13 34.18 2d8i s GLU 22 CO 0.26 -0.06 0.08 0.15 0.02 0.00 0.00 175.26 175.71 2d8i s LYS 23 N 0.34 2.15 0.05 1.61 1.02 -0.37 -5.01 119.74 119.54 2d8i s LYS 23 Ca -0.01 -1.78 -0.16 0.00 0.02 0.00 0.00 55.97 54.03 2d8i s LYS 23 Cb -0.03 -1.95 -0.21 0.00 -0.52 0.00 0.00 37.83 35.12 2d8i s LYS 23 CO -0.01 0.04 1.19 1.03 -0.92 0.00 0.00 175.35 176.68 2d8i h SER 24 N 1.65 0.74 -2.68 2.83 0.87 -1.89 -3.45 113.55 111.64 2d8i h SER 24 Ca -0.43 -0.70 -0.21 0.00 -1.23 0.00 0.00 61.79 59.22 2d8i h SER 24 Cb 1.25 -0.22 -0.32 0.00 -0.44 0.00 0.00 62.40 62.67 2d8i h SER 24 CO 0.69 1.34 -0.52 -1.81 -0.53 0.00 0.00 176.83 175.99 2d8i s ASP 25 N -6.96 0.42 0.07 6.23 1.01 -1.26 -5.00 116.67 111.18 2d8i s ASP 25 Ca -0.12 0.49 -0.16 0.00 0.71 0.00 0.00 52.55 53.47 2d8i s ASP 25 Cb 0.06 0.77 -0.05 0.00 1.01 0.00 0.00 42.92 44.71 2d8i s ASP 25 CO 0.87 -0.26 1.27 0.71 0.21 0.00 0.00 175.17 177.97 2d8i h THR 26 N 6.27 0.00 0.35 -1.27 1.35 -1.87 0.97 112.91 118.71 2d8i h THR 26 Ca -0.15 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.70 2d8i h THR 26 Cb 1.12 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.53 2d8i h THR 26 CO 0.17 0.00 -0.31 0.00 -0.25 0.00 0.00 175.52 175.13 2d8i h ALA 27 N -0.57 -1.03 -0.95 6.62 0.00 -1.97 -3.31 119.26 118.06 2d8i h ALA 27 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2d8i h ALA 27 Cb 0.27 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2d8i h ALA 27 CO -0.34 -1.03 0.00 0.00 0.00 0.00 0.00 179.25 177.87 2d8i n ALA 28 N -2.57 -0.16 -2.69 0.00 0.00 -1.10 -4.55 120.51 109.44 2d8i n ALA 28 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.99 2d8i n ALA 28 Cb 0.29 0.22 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.52 6.55 -0.02 0.00 1.01 0.33 -5.01 116.67 117.01 2d8i s ASP 29 Ca 0.00 0.65 -0.05 0.00 0.71 0.00 0.00 52.55 53.86 2d8i s ASP 29 Cb 0.00 -2.18 0.01 0.00 1.01 0.00 0.00 42.92 41.75 2d8i s ASP 29 CO 0.00 0.23 0.11 0.28 0.21 0.00 0.00 175.17 176.00 2d8i s THR 30 N -0.32 0.04 1.19 -1.27 -1.32 -1.25 -3.72 115.64 108.98 2d8i s THR 30 Ca 0.19 -0.32 -0.17 0.00 -1.21 0.00 0.00 61.69 60.17 2d8i s THR 30 Cb -0.14 -0.27 0.27 0.00 -1.51 0.00 0.00 72.50 70.85 2d8i s THR 30 CO 0.07 -0.18 0.61 -1.22 -2.21 0.00 0.00 174.62 171.69 2d8i n TYR 31 N 2.36 -3.05 -2.04 9.09 4.01 -1.26 -4.99 117.16 121.27 2d8i n TYR 31 Ca -0.17 -0.37 0.00 0.00 -0.16 0.00 0.00 57.90 57.20 2d8i n TYR 31 Cb 0.58 -1.29 -0.00 0.00 -0.31 0.00 0.00 39.34 38.31 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 -3.18 0.65 3.54 2.72 0.00 -1.26 -5.03 105.19 102.63 2d8i n GLY 32 Ca 0.10 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 3.08 0.27 1.61 -0.71 -1.26 -3.42 117.98 117.54 2d8i s PHE 33 Ca 0.03 -0.17 0.08 0.00 -1.04 0.00 0.00 56.93 55.82 2d8i s PHE 33 Cb 0.03 -1.95 -0.04 0.00 -1.21 0.00 0.00 43.02 39.85 2d8i s PHE 33 CO -0.01 0.06 0.18 0.45 -1.34 0.00 0.00 175.22 174.55 2d8i s SER 34 N 0.20 5.27 -0.06 1.98 0.15 -1.21 -5.00 113.70 115.03 2d8i s SER 34 Ca -0.01 -0.39 0.04 0.00 0.70 0.00 0.00 55.95 56.30 2d8i s SER 34 Cb -0.13 -1.20 -0.00 0.00 -1.71 0.00 0.00 66.02 62.97 2d8i s SER 34 CO 0.02 -0.10 -0.20 -0.76 1.20 0.00 0.00 173.24 173.41 2d8i s LEU 35 N -3.84 1.95 -0.13 3.45 1.43 -1.26 -2.07 118.68 118.21 2d8i s LEU 35 Ca 0.34 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2d8i s LEU 35 Cb -0.07 -1.14 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 2d8i s LEU 35 CO 0.24 0.16 -0.02 -0.55 0.23 0.00 0.00 176.35 176.41 2d8i s SER 36 N 0.13 4.96 -0.25 2.29 0.15 0.01 -4.90 113.70 116.09 2d8i s SER 36 Ca -0.08 -0.03 -0.12 0.00 0.70 0.00 0.00 55.95 56.42 2d8i s SER 36 Cb -0.14 -1.64 -0.05 0.00 -1.71 0.00 0.00 66.02 62.48 2d8i s SER 36 CO 0.04 0.25 0.22 -0.94 1.20 0.00 0.00 173.24 174.01 2d8i s SER 37 N -0.11 6.14 -0.06 5.45 1.04 -1.26 -1.01 113.70 123.89 2d8i s SER 37 Ca 0.03 0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.64 2d8i s SER 37 Cb -0.13 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.85 2d8i s SER 37 CO 0.02 -0.02 -0.19 -0.69 0.98 0.00 0.00 173.24 173.35 2d8i s VAL 38 N 1.44 1.60 -0.27 5.02 1.01 0.50 -4.96 120.40 124.74 2d8i s VAL 38 Ca 0.10 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 2d8i s VAL 38 Cb -0.15 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2d8i s VAL 38 CO 0.08 0.46 0.14 -0.70 0.00 0.00 0.00 175.10 175.08 2d8i s GLU 39 N 0.22 3.85 -0.33 2.72 2.12 -1.26 -0.10 118.70 125.91 2d8i s GLU 39 Ca -0.10 -0.37 0.03 0.00 0.36 0.00 0.00 54.97 54.89 2d8i s GLU 39 Cb -0.14 -3.53 0.10 0.00 0.26 0.00 0.00 34.13 30.82 2d8i s GLU 39 CO 0.04 -0.17 0.05 -1.21 -0.54 0.00 0.00 175.26 173.44 2d8i s GLU 40 N 1.66 1.39 -1.31 4.30 2.02 -0.20 -4.75 118.70 121.81 2d8i s GLU 40 Ca 0.07 -1.72 -0.08 0.00 0.02 0.00 0.00 54.97 53.26 2d8i s GLU 40 Cb -0.16 -3.00 0.01 0.00 0.10 0.00 0.00 34.13 31.08 2d8i s GLU 40 CO 0.08 -0.93 1.14 -0.25 0.02 0.00 0.00 175.26 175.32 2d8i n ASP 41 N 4.35 -5.69 0.00 -0.19 9.92 -1.26 -1.62 116.55 122.07 2d8i n ASP 41 Ca 0.02 -0.54 0.00 0.00 -0.53 0.00 0.00 54.79 53.74 2d8i n ASP 41 Cb 0.42 -4.98 0.00 0.00 -0.64 0.00 0.00 41.12 35.92 2d8i n ASP 41 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2d8i n GLY 42 N -1.86 2.96 3.55 0.44 0.00 -1.26 -4.98 105.19 104.03 2d8i n GLY 42 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.55 4.02 0.13 -0.61 1.01 -0.64 -5.01 121.20 118.55 2d8i s ILE 43 Ca 0.00 0.53 -0.30 0.00 0.00 0.00 0.00 60.65 60.89 2d8i s ILE 43 Cb 0.00 -4.75 -0.06 0.00 0.01 0.00 0.00 42.46 37.66 2d8i s ILE 43 CO 0.00 -1.47 0.95 -0.60 0.00 0.00 0.00 174.94 173.82 2d8i s ARG 44 N 4.93 4.71 0.13 2.79 3.52 -1.26 -1.03 118.95 132.75 2d8i s ARG 44 Ca 0.36 1.44 0.01 0.00 -0.13 0.00 0.00 55.73 57.42 2d8i s ARG 44 Cb -0.09 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 2d8i s ARG 44 CO 0.20 0.26 -0.01 1.03 -0.81 0.00 0.00 175.30 175.97 2d8i s ARG 45 N -0.16 0.95 0.11 5.12 0.52 0.85 -4.61 118.95 121.72 2d8i s ARG 45 Ca 0.46 -1.43 0.10 0.00 -0.52 0.00 0.00 55.73 54.34 2d8i s ARG 45 Cb -0.24 -0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.10 2d8i s ARG 45 CO 0.30 -0.13 -0.25 -0.51 0.02 0.00 0.00 175.30 174.73 2d8i s LEU 46 N -3.09 2.35 -0.07 2.53 2.01 -1.26 -0.37 118.68 120.78 2d8i s LEU 46 Ca 0.19 -0.68 -0.04 0.00 0.01 0.00 0.00 54.13 53.61 2d8i s LEU 46 Cb 0.06 -1.29 0.03 0.00 0.01 0.00 0.00 46.19 45.01 2d8i s LEU 46 CO -0.00 0.20 0.17 -0.31 1.01 0.00 0.00 176.35 177.41 2d8i s TYR 47 N -1.02 -0.19 -0.46 0.29 2.02 -0.18 -2.60 117.35 115.21 2d8i s TYR 47 Ca 0.14 0.51 -0.27 0.00 -0.37 0.00 0.00 57.07 57.08 2d8i s TYR 47 Cb -0.10 -0.02 -0.03 0.00 -0.40 0.00 0.00 41.96 41.41 2d8i s TYR 47 CO 0.06 -0.15 1.99 0.08 -1.57 0.00 0.00 175.55 175.96 2d8i s VAL 48 N 0.85 3.29 0.11 0.71 1.01 0.56 -0.81 120.40 126.12 2d8i s VAL 48 Ca -0.06 0.23 -0.21 0.00 0.00 0.00 0.00 61.98 61.94 2d8i s VAL 48 Cb -0.08 -3.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.64 2d8i s VAL 48 CO -0.04 -0.47 1.76 -1.13 0.00 0.00 0.00 175.10 175.21 2d8i h ASN 49 N 15.28 0.14 -5.24 3.32 -0.73 -1.75 0.47 115.58 127.06 2d8i h ASN 49 Ca -0.29 -0.00 -0.07 0.00 1.87 0.00 0.00 56.30 57.81 2d8i h ASN 49 Cb 1.19 -0.03 -0.09 0.00 0.27 0.00 0.00 38.32 39.67 2d8i h ASN 49 CO 1.12 0.10 -0.10 -0.94 -0.37 0.00 0.00 177.43 177.24 2d8i s SER 50 N -5.30 -0.03 -0.00 1.15 1.04 -1.26 -4.61 113.70 104.69 2d8i s SER 50 Ca -0.13 -0.96 0.01 0.00 0.48 0.00 0.00 55.95 55.35 2d8i s SER 50 Cb 0.08 0.61 -0.00 0.00 0.10 0.00 0.00 66.02 66.80 2d8i s SER 50 CO 0.68 -1.18 -0.03 -0.69 0.98 0.00 0.00 173.24 173.00 2d8i s VAL 51 N -3.90 0.25 1.14 5.02 1.01 -1.26 -3.29 120.40 119.37 2d8i s VAL 51 Ca 0.22 -0.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 2d8i s VAL 51 Cb -0.01 -0.22 0.17 0.00 0.00 0.00 0.00 36.38 36.32 2d8i s VAL 51 CO 0.10 0.07 0.26 2.29 0.00 0.00 0.00 175.10 177.82 2d8i n LYS 52 N 3.05 -2.27 -4.71 2.72 2.85 -1.22 -4.91 118.16 113.66 2d8i n LYS 52 Ca -0.13 -0.66 -0.33 0.00 -1.05 0.00 0.00 58.31 56.14 2d8i n LYS 52 Cb 0.59 -1.68 -0.13 0.00 -0.65 0.00 0.00 35.03 33.15 2d8i n LYS 52 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2d8i s GLU 53 N -3.69 3.11 -1.24 -1.58 -1.05 -1.26 -4.60 118.70 108.39 2d8i s GLU 53 Ca 0.52 -0.63 -0.12 0.00 -0.15 0.00 0.00 54.97 54.59 2d8i s GLU 53 Cb -0.11 -2.62 0.11 0.00 -0.44 0.00 0.00 34.13 31.07 2d8i s GLU 53 CO 0.55 0.40 0.45 0.25 0.95 0.00 0.00 175.26 177.86 2d8i n THR 54 N 2.99 -0.56 -0.21 1.83 -2.24 -1.26 -4.90 114.28 109.93 2d8i n THR 54 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2d8i n THR 54 Cb 0.53 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 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 -1.04 2.80 0.08 3.38 0.00 -1.26 -5.04 105.19 104.12 2d8i n GLY 55 Ca 0.03 -1.74 -0.08 0.00 0.00 0.00 0.00 46.02 44.23 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 1.88 -0.25 0.99 4.77 -1.26 -4.01 117.00 119.13 2d8i n LEU 56 Ca 0.00 0.46 -0.07 0.00 -0.03 0.00 0.00 56.01 56.37 2d8i n LEU 56 Cb 0.00 -0.80 -0.06 0.00 -2.33 0.00 0.00 43.42 40.23 2d8i n LEU 56 CO 0.00 -0.32 0.39 0.00 -1.33 0.00 0.00 177.39 176.14 2d8i n ALA 57 N -4.10 -0.38 0.00 -1.18 0.00 -1.26 -0.54 120.51 113.05 2d8i n ALA 57 Ca -0.13 0.51 -0.12 0.00 0.00 0.00 0.00 53.44 53.70 2d8i n ALA 57 Cb 0.43 0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 2d8i n ALA 57 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2d8i h SER 58 N 0.00 -1.24 -0.68 0.00 4.64 -1.81 -2.03 113.55 112.43 2d8i h SER 58 Ca 0.10 0.17 0.09 0.00 -0.47 0.00 0.00 61.79 61.68 2d8i h SER 58 Cb 0.25 0.51 -0.11 0.00 -0.31 0.00 0.00 62.40 62.73 2d8i h SER 58 CO -0.56 -0.41 -0.46 0.11 -0.87 0.00 0.00 176.83 174.63 2d8i h LYS 59 N -0.47 -0.17 -0.05 4.77 1.57 -0.95 -2.05 116.57 119.22 2d8i h LYS 59 Ca 0.08 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2d8i h LYS 59 Cb 0.61 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 2d8i h LYS 59 CO -0.39 -0.12 -0.37 0.87 -0.57 0.00 0.00 179.45 178.88 2d8i h LYS 60 N -0.18 -0.41 0.00 3.15 1.79 -0.55 -3.45 116.57 116.92 2d8i h LYS 60 Ca 0.19 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 2d8i h LYS 60 Cb 0.55 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 2d8i h LYS 60 CO -0.75 -0.27 0.00 0.41 -1.08 0.00 0.00 179.45 177.75 2d8i n GLY 61 N -1.30 0.00 3.83 3.86 0.00 -0.77 -5.11 105.19 105.70 2d8i n GLY 61 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 2d8i n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d8i s LEU 62 N 0.00 3.98 0.13 0.99 1.43 -0.88 -5.01 118.68 119.32 2d8i s LEU 62 Ca 0.00 0.02 -0.25 0.00 -1.03 0.00 0.00 54.13 52.88 2d8i s LEU 62 Cb 0.00 -2.61 0.07 0.00 0.03 0.00 0.00 46.19 43.68 2d8i s LEU 62 CO 0.00 0.12 0.75 -0.54 0.23 0.00 0.00 176.35 176.91 2d8i s LYS 63 N -2.80 1.21 -0.28 1.70 1.02 -1.26 -4.21 119.74 115.13 2d8i s LYS 63 Ca 0.32 -0.53 -0.28 0.00 0.02 0.00 0.00 55.97 55.50 2d8i s LYS 63 Cb -0.11 0.51 -0.05 0.00 -0.52 0.00 0.00 37.83 37.66 2d8i s LYS 63 CO 0.24 -0.54 2.16 0.00 -0.92 0.00 0.00 175.35 176.29 2d8i s ALA 64 N -3.53 2.59 0.00 5.17 0.00 -1.26 -2.33 121.76 122.41 2d8i s ALA 64 Ca 0.05 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.56 2d8i s ALA 64 Cb -0.02 -4.11 0.00 0.00 0.00 0.00 0.00 23.12 19.00 2d8i s ALA 64 CO -0.07 -3.01 0.00 0.41 0.00 0.00 0.00 175.76 173.09 2d8i n GLY 65 N 5.73 3.93 3.21 0.00 0.00 0.17 -4.99 105.19 113.24 2d8i n GLY 65 Ca 0.29 -0.92 -0.48 0.00 0.00 0.00 0.00 46.02 44.91 2d8i n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2d8i n ASP 66 N 0.00 -0.76 -4.65 1.61 9.92 -0.98 -4.14 116.55 117.54 2d8i n ASP 66 Ca 0.00 1.07 -0.36 0.00 -0.53 0.00 0.00 54.79 54.97 2d8i n ASP 66 Cb 0.00 -0.88 -0.09 0.00 -0.64 0.00 0.00 41.12 39.51 2d8i n ASP 66 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 2d8i s GLU 67 N -0.61 4.04 0.23 -1.24 -1.05 -1.26 -0.32 118.70 118.49 2d8i s GLU 67 Ca 0.69 -0.30 -0.19 0.00 -0.15 0.00 0.00 54.97 55.02 2d8i s GLU 67 Cb -0.98 -3.41 -0.08 0.00 -0.44 0.00 0.00 34.13 29.22 2d8i s GLU 67 CO 0.53 0.15 0.73 0.42 0.95 0.00 0.00 175.26 178.03 2d8i s ILE 68 N 0.78 4.57 -0.12 1.83 -1.09 -1.07 -4.31 121.20 121.79 2d8i s ILE 68 Ca 0.06 1.27 -0.01 0.00 -2.23 0.00 0.00 60.65 59.74 2d8i s ILE 68 Cb -0.13 -3.84 -0.07 0.00 -1.58 0.00 0.00 42.46 36.84 2d8i s ILE 68 CO 0.02 0.17 -0.12 0.18 -1.23 0.00 0.00 174.94 173.96 2d8i n LEU 69 N 0.63 2.40 -3.89 2.97 4.77 0.40 -4.28 117.00 119.99 2d8i n LEU 69 Ca -0.02 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.86 2d8i n LEU 69 Cb 0.51 -0.40 -0.09 0.00 -2.33 0.00 0.00 43.42 41.11 2d8i n LEU 69 CO 0.43 0.58 -0.18 -1.61 -1.33 0.00 0.00 177.39 175.28 2d8i s GLU 70 N -2.24 0.57 -0.25 3.23 2.02 -1.25 -3.61 118.70 117.17 2d8i s GLU 70 Ca -0.16 -0.60 -0.02 0.00 0.02 0.00 0.00 54.97 54.21 2d8i s GLU 70 Cb 0.05 0.23 0.08 0.00 0.10 0.00 0.00 34.13 34.59 2d8i s GLU 70 CO 0.26 -0.14 0.06 0.42 0.02 0.00 0.00 175.26 175.87 2d8i s ILE 71 N -2.13 0.77 -1.11 -1.63 1.01 -0.04 -2.17 121.20 115.91 2d8i s ILE 71 Ca -0.09 -1.02 -0.06 0.00 0.00 0.00 0.00 60.65 59.48 2d8i s ILE 71 Cb -0.04 -1.40 0.01 0.00 0.01 0.00 0.00 42.46 41.04 2d8i s ILE 71 CO -0.02 -0.43 0.96 0.59 0.00 0.00 0.00 174.94 176.04 2d8i n ASN 72 N 4.92 -5.04 -1.79 3.58 3.02 -0.20 -2.37 115.26 117.38 2d8i n ASN 72 Ca -0.06 -0.46 -0.13 0.00 -0.03 0.00 0.00 54.58 53.90 2d8i n ASN 72 Cb 0.44 -4.28 0.01 0.00 -0.61 0.00 0.00 39.78 35.34 2d8i n ASN 72 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2d8i n ASN 73 N -2.34 -4.24 -4.01 6.41 3.02 -1.26 -5.02 115.26 107.82 2d8i n ASN 73 Ca -0.03 -0.13 -0.18 0.00 -0.03 0.00 0.00 54.58 54.20 2d8i n ASN 73 Cb 0.57 -3.21 -0.15 0.00 -0.61 0.00 0.00 39.78 36.38 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 -5.07 0.72 -0.23 3.52 1.81 -1.00 -5.10 118.95 113.59 2d8i s ARG 74 Ca 0.13 -0.29 -0.29 0.00 -1.72 0.00 0.00 55.73 53.56 2d8i s ARG 74 Cb -0.06 -0.69 -0.03 0.00 -0.45 0.00 0.00 34.95 33.72 2d8i s ARG 74 CO 0.16 0.16 1.71 0.00 -0.68 0.00 0.00 175.30 176.66 2d8i s ALA 75 N -0.11 3.16 0.19 2.13 0.00 -1.26 -0.87 121.76 125.00 2d8i s ALA 75 Ca 0.02 0.48 -0.24 0.00 0.00 0.00 0.00 51.96 52.22 2d8i s ALA 75 Cb -0.04 -3.90 0.09 0.00 0.00 0.00 0.00 23.12 19.26 2d8i s ALA 75 CO -0.00 -2.14 1.55 0.00 0.00 0.00 0.00 175.76 175.17 2d8i h ALA 76 N 11.49 -0.19 -0.91 0.00 0.00 -1.90 1.01 119.26 128.75 2d8i h ALA 76 Ca -0.35 0.18 0.23 0.00 0.00 0.00 0.00 54.91 54.97 2d8i h ALA 76 Cb 1.17 1.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.99 2d8i h ALA 76 CO 1.00 -0.79 0.62 0.38 0.00 0.00 0.00 179.25 180.46 2d8i h ASP 77 N -0.07 0.30 0.72 0.00 2.03 -1.88 0.44 116.42 117.96 2d8i h ASP 77 Ca 0.24 0.03 -0.13 0.00 -0.73 0.00 0.00 57.03 56.45 2d8i h ASP 77 Cb 0.53 -0.02 -0.02 0.00 -0.83 0.00 0.00 39.33 39.00 2d8i h ASP 77 CO -0.88 0.11 -0.60 0.00 -1.03 0.00 0.00 179.24 176.83 2d8i h ALA 78 N 1.60 0.91 -2.76 4.15 0.00 0.63 -3.43 119.26 120.36 2d8i h ALA 78 Ca 0.47 -0.55 -0.57 0.00 0.00 0.00 0.00 54.91 54.26 2d8i h ALA 78 Cb 1.36 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 2d8i h ALA 78 CO -0.14 0.75 -0.00 -0.51 0.00 0.00 0.00 179.25 179.35 2d8i s LEU 79 N -7.38 4.38 0.45 0.00 1.43 0.15 -5.02 118.68 112.69 2d8i s LEU 79 Ca -0.01 1.13 0.08 0.00 -1.03 0.00 0.00 54.13 54.30 2d8i s LEU 79 Cb 0.12 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.41 2d8i s LEU 79 CO 0.75 0.04 0.45 0.54 0.23 0.00 0.00 176.35 178.36 2d8i s ASN 80 N 0.14 5.06 0.31 2.29 2.20 -1.26 -4.84 114.94 118.84 2d8i s ASN 80 Ca 0.32 -0.80 0.04 0.00 -0.94 0.00 0.00 52.86 51.49 2d8i s ASN 80 Cb -0.18 -0.34 0.83 0.00 -2.00 0.00 0.00 41.25 39.56 2d8i s ASN 80 CO 0.17 -0.81 1.59 0.28 -2.94 0.00 0.00 177.10 175.39 2d8i h SER 81 N 0.85 -0.28 0.24 3.54 0.02 -1.98 0.25 113.55 116.19 2d8i h SER 81 Ca -0.39 0.26 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 2d8i h SER 81 Cb 1.28 0.42 -0.03 0.00 0.14 0.00 0.00 62.40 64.20 2d8i h SER 81 CO 0.54 -0.33 -0.36 -1.28 -1.14 0.00 0.00 176.83 174.26 2d8i h SER 82 N 0.04 -1.02 0.03 3.07 0.87 -2.00 -0.32 113.55 114.23 2d8i h SER 82 Ca 0.62 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 61.28 2d8i h SER 82 Cb 1.35 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 63.68 2d8i h SER 82 CO -0.85 -0.47 -0.01 0.24 -0.53 0.00 0.00 176.83 175.20 2d8i h MET 83 N -0.67 -0.04 -0.87 2.24 2.86 -1.09 -2.74 114.93 114.64 2d8i h MET 83 Ca 0.00 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.84 2d8i h MET 83 Cb 0.65 0.01 -0.12 0.00 0.06 0.00 0.00 31.60 32.20 2d8i h MET 83 CO -0.14 0.03 0.37 -0.07 1.06 0.00 0.00 176.91 178.16 2d8i h LEU 84 N -0.09 0.32 -0.23 1.22 3.38 -0.47 -0.25 115.31 119.18 2d8i h LEU 84 Ca -0.00 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.15 2d8i h LEU 84 Cb 0.08 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2d8i h LEU 84 CO 0.01 0.03 -0.06 0.50 0.09 0.00 0.00 178.44 179.01 2d8i h LYS 85 N 0.42 0.00 -0.42 1.13 3.64 -0.75 -2.07 116.57 118.54 2d8i h LYS 85 Ca 0.53 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.98 2d8i h LYS 85 Cb 0.95 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.71 2d8i h LYS 85 CO -0.50 0.00 0.05 -0.44 -2.27 0.00 0.00 179.45 176.29 2d8i h ASP 86 N 0.00 -0.06 -0.63 4.20 5.19 -0.94 -0.96 116.42 123.22 2d8i h ASP 86 Ca 0.11 0.08 0.10 0.00 -0.62 0.00 0.00 57.03 56.70 2d8i h ASP 86 Cb 0.17 0.13 -0.07 0.00 0.18 0.00 0.00 39.33 39.73 2d8i h ASP 86 CO -0.24 0.00 0.25 -0.26 -3.12 0.00 0.00 179.24 175.87 2d8i h PHE 87 N 0.17 0.43 0.00 4.55 0.04 -0.92 0.19 116.94 121.40 2d8i h PHE 87 Ca 0.20 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.00 2d8i h PHE 87 Cb 0.27 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.32 2d8i h PHE 87 CO -0.23 0.11 0.00 -0.07 -0.60 0.00 0.00 178.31 177.52 2d8i h LEU 88 N 0.43 0.00 -3.34 1.54 3.38 -0.67 -2.77 115.31 113.88 2d8i h LEU 88 Ca 0.32 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.94 2d8i h LEU 88 Cb 0.39 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.95 2d8i h LEU 88 CO -0.31 0.00 0.45 -0.24 0.09 0.00 0.00 178.44 178.43 2d8i n SER 89 N -2.94 4.20 -4.33 -0.43 2.88 0.67 -4.81 113.62 108.86 2d8i n SER 89 Ca 0.00 -3.07 -0.23 0.00 -1.33 0.00 0.00 58.87 54.24 2d8i n SER 89 Cb 0.27 -0.78 -0.12 0.00 -0.75 0.00 0.00 64.21 62.83 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 -2.15 1.25 0.00 -1.46 -1.52 -1.05 -5.01 119.66 109.72 2d8i s GLN 90 Ca 0.37 -1.33 0.15 0.00 -1.95 0.00 0.00 55.36 52.60 2d8i s GLN 90 Cb 0.31 -1.43 0.73 0.00 -0.22 0.00 0.00 33.01 32.39 2d8i s GLN 90 CO 0.05 0.31 1.41 -0.35 -0.25 0.00 0.00 175.29 176.46 2d8i n PRO 91 N 0.60 0.19 -3.74 2.91 -0.04 -1.26 -4.68 135.00 128.98 2d8i n PRO 91 Ca -0.16 0.16 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2d8i n PRO 91 Cb 0.55 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 2d8i n PRO 91 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d8i s SER 92 N -2.61 -0.41 -0.00 3.54 0.15 -1.26 -1.23 113.70 111.88 2d8i s SER 92 Ca 0.13 0.76 0.04 0.00 0.70 0.00 0.00 55.95 57.58 2d8i s SER 92 Cb 0.10 0.78 -0.01 0.00 -1.71 0.00 0.00 66.02 65.18 2d8i s SER 92 CO 0.23 -0.17 -0.13 -0.76 1.20 0.00 0.00 173.24 173.61 2d8i s LEU 93 N 0.09 2.05 -0.33 3.45 2.01 -0.37 -4.96 118.68 120.62 2d8i s LEU 93 Ca -0.01 -0.28 0.02 0.00 0.01 0.00 0.00 54.13 53.86 2d8i s LEU 93 Cb -0.03 -0.67 0.10 0.00 0.01 0.00 0.00 46.19 45.60 2d8i s LEU 93 CO 0.01 0.14 0.08 -0.83 1.01 0.00 0.00 176.35 176.76 2d8i s GLY 94 N -0.47 1.50 0.21 -3.19 0.00 -1.26 -0.71 107.32 103.40 2d8i s GLY 94 Ca 0.04 -2.11 0.07 0.00 0.00 0.00 0.00 44.72 42.72 2d8i s GLY 94 CO -0.00 1.30 0.11 1.08 0.00 0.00 0.00 173.10 175.59 2d8i s LEU 95 N 1.23 3.64 -0.21 0.66 1.43 -0.58 -1.03 118.68 123.82 2d8i s LEU 95 Ca 0.11 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2d8i s LEU 95 Cb -0.18 -2.22 0.05 0.00 0.03 0.00 0.00 46.19 43.87 2d8i s LEU 95 CO -0.16 0.03 -0.06 -0.22 0.23 0.00 0.00 176.35 176.16 2d8i s LEU 96 N -3.38 2.28 0.20 1.79 2.96 -0.92 -1.29 118.68 120.31 2d8i s LEU 96 Ca 0.31 -1.00 0.10 0.00 -0.22 0.00 0.00 54.13 53.32 2d8i s LEU 96 Cb -0.09 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 2d8i s LEU 96 CO 0.23 -0.21 -0.20 0.68 -1.32 0.00 0.00 176.35 175.53 2d8i s VAL 97 N 1.45 2.09 0.11 1.68 -7.23 -1.04 -0.45 120.40 117.01 2d8i s VAL 97 Ca -0.03 -2.06 -0.11 0.00 -1.81 0.00 0.00 61.98 57.96 2d8i s VAL 97 Cb -0.18 -2.03 -0.06 0.00 0.56 0.00 0.00 36.38 34.68 2d8i s VAL 97 CO -0.07 -0.29 0.45 -0.60 -0.31 0.00 0.00 175.10 174.28 2d8i s ARG 98 N -2.95 3.82 -0.00 4.82 3.52 -1.26 -0.59 118.95 126.31 2d8i s ARG 98 Ca 0.20 0.27 -0.17 0.00 -0.13 0.00 0.00 55.73 55.90 2d8i s ARG 98 Cb -0.06 -2.96 0.03 0.00 -1.56 0.00 0.00 34.95 30.40 2d8i s ARG 98 CO 0.09 0.52 0.37 -0.08 -0.81 0.00 0.00 175.30 175.40 2d8i s THR 99 N -1.44 0.05 0.13 4.11 -1.32 0.89 -4.94 115.64 113.12 2d8i s THR 99 Ca 0.35 -0.43 -0.30 0.00 -1.21 0.00 0.00 61.69 60.10 2d8i s THR 99 Cb -0.14 -0.75 -0.07 0.00 -1.51 0.00 0.00 72.50 70.02 2d8i s THR 99 CO 0.19 -0.24 1.26 -0.31 -2.21 0.00 0.00 174.62 173.31 2d8i s TYR 100 N -1.62 3.36 0.85 9.09 2.02 -1.26 -0.03 117.35 129.76 2d8i s TYR 100 Ca -0.11 1.25 -0.14 0.00 -0.37 0.00 0.00 57.07 57.69 2d8i s TYR 100 Cb -0.03 -3.51 0.21 0.00 -0.40 0.00 0.00 41.96 38.23 2d8i s TYR 100 CO 0.03 -1.60 0.76 -0.35 -1.57 0.00 0.00 175.55 172.82 2d8i n PRO 101 N 3.27 -2.50 -3.89 -1.71 -0.04 -1.26 -4.89 135.00 123.99 2d8i n PRO 101 Ca 0.08 -1.21 -0.17 0.00 -0.04 0.00 0.00 63.50 62.15 2d8i n PRO 101 Cb 0.44 -1.14 -0.07 0.00 -0.04 0.00 0.00 33.50 32.70 2d8i n PRO 101 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2d8i n GLU 102 N -3.82 0.37 -0.61 0.54 -0.58 -1.26 -5.03 120.64 110.24 2d8i n GLU 102 Ca 0.11 -2.81 -0.12 0.00 -0.42 0.00 0.00 57.16 53.91 2d8i n GLU 102 Cb 0.41 2.25 0.08 0.00 -0.57 0.00 0.00 31.44 33.60 2d8i n GLU 102 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2d8i n LEU 103 N 0.00 4.96 -2.97 -4.62 4.32 -1.26 -4.57 117.00 112.86 2d8i n LEU 103 Ca 0.06 -2.58 -0.34 0.00 -0.02 0.00 0.00 56.01 53.12 2d8i n LEU 103 Cb 0.51 -0.71 -0.02 0.00 -1.62 0.00 0.00 43.42 41.58 2d8i n LEU 103 CO 0.26 0.82 1.80 1.21 -1.22 0.00 0.00 177.39 180.26 2d8i n GLU 104 N -0.17 3.43 -3.84 3.23 2.13 -1.26 -4.89 120.64 119.27 2d8i n GLU 104 Ca 0.28 -3.11 -0.12 0.00 0.66 0.00 0.00 57.16 54.87 2d8i n GLU 104 Cb 0.98 -2.34 -0.13 0.00 0.27 0.00 0.00 31.44 30.22 2d8i n GLU 104 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2d8i s GLU 105 N -2.21 0.17 0.00 5.31 0.41 -1.26 -5.02 118.70 116.10 2d8i s GLU 105 Ca 0.54 0.09 0.00 0.00 -0.41 0.00 0.00 54.97 55.19 2d8i s GLU 105 Cb 0.31 0.08 0.00 0.00 -1.78 0.00 0.00 34.13 32.74 2d8i s GLU 105 CO -0.21 -0.03 0.00 0.41 -0.49 0.00 0.00 175.26 174.95 2d8i n GLY 106 N 2.84 0.00 3.77 -1.39 0.00 -1.26 -5.16 105.19 103.99 2d8i n GLY 106 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 2d8i n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2d8i s VAL 107 N 0.00 3.12 -0.09 1.61 -7.23 -1.26 -4.97 120.40 111.57 2d8i s VAL 107 Ca 0.00 0.70 0.08 0.00 -1.81 0.00 0.00 61.98 60.95 2d8i s VAL 107 Cb 0.00 -3.28 -0.24 0.00 0.56 0.00 0.00 36.38 33.42 2d8i s VAL 107 CO 0.00 -0.15 0.47 1.21 -0.31 0.00 0.00 175.10 176.33 2d8i n GLU 108 N -1.29 0.67 -4.00 4.82 2.13 -1.26 -4.99 120.64 116.72 2d8i n GLU 108 Ca 0.12 0.24 -0.27 0.00 0.66 0.00 0.00 57.16 57.91 2d8i n GLU 108 Cb 0.51 -1.72 -0.03 0.00 0.27 0.00 0.00 31.44 30.46 2d8i n GLU 108 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2d8i n SER 109 N -3.12 -0.40 -4.88 4.31 7.64 -1.26 -4.94 113.62 110.98 2d8i n SER 109 Ca -0.24 -1.06 -0.34 0.00 1.01 0.00 0.00 58.87 58.25 2d8i n SER 109 Cb 1.06 -2.81 -0.05 0.00 -1.01 0.00 0.00 64.21 61.40 2d8i n SER 109 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2d8i s GLY 110 N -4.32 2.30 1.17 0.23 0.00 -1.26 -5.09 107.32 100.35 2d8i s GLY 110 Ca 0.03 -0.45 -0.18 0.00 0.00 0.00 0.00 44.72 44.13 2d8i s GLY 110 CO 0.91 -0.27 1.11 2.56 0.00 0.00 0.00 173.10 177.41 2d8i s PRO 111 N -2.10 -0.97 -0.26 2.90 0.04 -1.26 -5.02 135.00 128.33 2d8i s PRO 111 Ca 0.35 0.03 0.18 0.00 0.04 0.00 0.00 61.00 61.59 2d8i s PRO 111 Cb -0.13 -1.62 0.49 0.00 0.04 0.00 0.00 34.50 33.28 2d8i s PRO 111 CO 0.19 -3.56 1.14 -1.13 0.04 0.00 0.00 177.00 173.68 2d8i n SER 112 N -4.67 2.58 -4.03 6.66 3.41 -1.26 -5.07 113.62 111.24 2d8i n SER 112 Ca 0.12 -2.58 -0.10 0.00 -0.26 0.00 0.00 58.87 56.05 2d8i n SER 112 Cb 0.59 -0.43 -0.11 0.00 -0.26 0.00 0.00 64.21 64.00 2d8i n SER 112 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2d8i s SER 113 N -3.67 0.49 0.00 4.04 0.15 -1.26 -5.38 113.70 108.07 2d8i s SER 113 Ca 0.35 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2d8i s SER 113 Cb 0.35 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 2d8i s SER 113 CO -0.02 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.71