#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8i h SER 2 N 0.00 -0.66 -3.38 1.61 0.87 -2.13 -3.44 113.55 106.43 2d8i h SER 2 Ca 0.00 -0.04 -0.66 0.00 -1.23 0.00 0.00 61.79 59.86 2d8i h SER 2 Cb 0.00 0.17 -0.13 0.00 -0.44 0.00 0.00 62.40 62.00 2d8i h SER 2 CO 0.00 -0.34 -0.66 -0.94 -0.53 0.00 0.00 176.83 174.36 2d8i s SER 3 N -4.62 5.04 0.00 6.23 1.04 -1.26 -5.09 113.70 115.04 2d8i s SER 3 Ca -0.16 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.19 2d8i s SER 3 Cb 0.02 -1.26 0.00 0.00 0.10 0.00 0.00 66.02 64.88 2d8i s SER 3 CO 0.54 0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.61 2d8i n GLY 4 N 1.10 4.47 3.52 7.32 0.00 -1.26 -5.14 105.19 115.19 2d8i n GLY 4 Ca -0.13 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 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 1.00 4.61 -0.08 1.61 0.01 -1.26 -5.03 113.70 114.56 2d8i s SER 5 Ca 0.00 -0.11 -0.26 0.00 1.31 0.00 0.00 55.95 56.89 2d8i s SER 5 Cb 0.00 -1.47 -0.24 0.00 0.21 0.00 0.00 66.02 64.51 2d8i s SER 5 CO 0.00 0.26 0.96 0.28 0.41 0.00 0.00 173.24 175.15 2d8i h SER 6 N 6.03 0.11 -0.84 2.44 0.02 -2.01 -3.48 113.55 115.82 2d8i h SER 6 Ca -0.38 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 59.75 2d8i h SER 6 Cb 1.19 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2d8i h SER 6 CO 0.57 0.92 0.00 0.61 -1.14 0.00 0.00 176.83 177.78 2d8i n GLY 7 N 1.15 0.40 3.02 -3.77 0.00 -1.26 -4.97 105.19 99.77 2d8i n GLY 7 Ca -0.10 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.58 2.29 0.27 1.61 2.02 -1.26 -4.79 118.70 117.26 2d8i s GLU 8 Ca 0.00 -0.64 -0.30 0.00 0.02 0.00 0.00 54.97 54.05 2d8i s GLU 8 Cb 0.00 -2.21 -0.10 0.00 0.10 0.00 0.00 34.13 31.92 2d8i s GLU 8 CO 0.00 -0.28 1.47 0.42 0.02 0.00 0.00 175.26 176.90 2d8i s ILE 9 N 1.45 2.49 0.13 -1.63 1.09 -1.26 -5.01 121.20 118.47 2d8i s ILE 9 Ca 0.04 0.42 -0.10 0.00 -1.10 0.00 0.00 60.65 59.91 2d8i s ILE 9 Cb -0.14 -3.27 0.00 0.00 -1.06 0.00 0.00 42.46 38.00 2d8i s ILE 9 CO -0.10 0.07 0.28 -1.61 -0.10 0.00 0.00 174.94 173.47 2d8i s GLU 10 N -0.52 1.05 0.20 2.79 2.02 -1.26 -5.05 118.70 117.93 2d8i s GLU 10 Ca 0.60 -1.03 0.01 0.00 0.02 0.00 0.00 54.97 54.57 2d8i s GLU 10 Cb -0.43 0.38 0.15 0.00 0.10 0.00 0.00 34.13 34.33 2d8i s GLU 10 CO 0.45 -0.38 1.50 0.82 0.02 0.00 0.00 175.26 177.68 2d8i h ILE 11 N 2.58 1.38 -0.87 -1.63 1.08 -2.06 -3.46 117.51 114.53 2d8i h ILE 11 Ca -0.33 -2.02 -0.62 0.00 -0.39 0.00 0.00 64.86 61.50 2d8i h ILE 11 Cb 1.22 2.01 0.08 0.00 -3.07 0.00 0.00 36.82 37.06 2d8i h ILE 11 CO 0.50 0.61 -0.29 0.00 -0.69 0.00 0.00 178.15 178.28 2d8i n PRO 13 N 1.02 0.12 -1.07 0.00 -0.04 -1.26 -4.93 135.00 128.84 2d8i n PRO 13 Ca 0.16 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.28 2d8i n PRO 13 Cb 0.17 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.64 2d8i n PRO 13 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2d8i n LYS 14 N -0.66 0.00 -5.18 0.54 4.01 -1.26 -4.87 118.16 110.74 2d8i n LYS 14 Ca 0.00 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.48 2d8i n LYS 14 Cb 0.00 -0.91 -0.15 0.00 -0.51 0.00 0.00 35.03 33.46 2d8i n LYS 14 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2d8i s VAL 15 N -1.81 2.36 0.15 -0.18 -7.23 -0.06 -4.95 120.40 108.67 2d8i s VAL 15 Ca 0.48 -1.00 -0.22 0.00 -1.81 0.00 0.00 61.98 59.43 2d8i s VAL 15 Cb -0.38 -1.85 -0.08 0.00 0.56 0.00 0.00 36.38 34.63 2d8i s VAL 15 CO 0.64 0.58 0.69 0.42 -0.31 0.00 0.00 175.10 177.12 2d8i s THR 16 N -0.65 4.54 -0.09 5.32 -4.23 -1.26 -0.74 115.64 118.53 2d8i s THR 16 Ca 0.10 1.45 0.02 0.00 -1.18 0.00 0.00 61.69 62.08 2d8i s THR 16 Cb -0.10 -4.00 0.02 0.00 1.34 0.00 0.00 72.50 69.75 2d8i s THR 16 CO -0.00 0.47 -0.13 0.00 -0.54 0.00 0.00 174.62 174.42 2d8i s GLN 17 N -1.31 1.86 -0.30 3.99 -2.07 -0.34 -4.94 119.66 116.57 2d8i s GLN 17 Ca 0.35 -0.44 -0.21 0.00 -1.82 0.00 0.00 55.36 53.24 2d8i s GLN 17 Cb -0.21 -1.61 -0.01 0.00 -1.09 0.00 0.00 33.01 30.10 2d8i s GLN 17 CO 0.23 -0.05 0.66 0.45 -1.32 0.00 0.00 175.29 175.26 2d8i s SER 18 N 0.93 6.53 -0.52 12.60 0.15 -1.26 -2.65 113.70 129.48 2d8i s SER 18 Ca -0.09 0.50 -0.17 0.00 0.70 0.00 0.00 55.95 56.89 2d8i s SER 18 Cb -0.15 -2.34 0.09 0.00 -1.71 0.00 0.00 66.02 61.91 2d8i s SER 18 CO 0.00 -0.49 0.54 -0.63 1.20 0.00 0.00 173.24 173.86 2d8i s ILE 19 N 2.65 5.07 -0.53 6.45 1.09 -0.64 -4.96 121.20 130.34 2d8i s ILE 19 Ca 0.26 -1.06 -0.18 0.00 -1.10 0.00 0.00 60.65 58.57 2d8i s ILE 19 Cb -0.15 -4.30 0.07 0.00 -1.06 0.00 0.00 42.46 37.03 2d8i s ILE 19 CO 0.11 -0.82 0.61 -1.38 -0.10 0.00 0.00 174.94 173.36 2d8i s HIS 20 N 2.05 3.07 0.08 3.97 -3.43 -1.26 -2.22 115.29 117.55 2d8i s HIS 20 Ca 0.08 -0.74 -0.04 0.00 -0.80 0.00 0.00 55.06 53.56 2d8i s HIS 20 Cb -0.25 -3.62 -0.05 0.00 -1.43 0.00 0.00 32.58 27.23 2d8i s HIS 20 CO 0.07 -1.07 0.30 0.42 -2.00 0.00 0.00 174.74 172.46 2d8i s ILE 21 N 2.46 5.26 -0.18 -5.38 1.01 -0.42 -4.97 121.20 118.99 2d8i s ILE 21 Ca 0.12 -0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.65 2d8i s ILE 21 Cb -0.22 -3.61 0.07 0.00 0.01 0.00 0.00 42.46 38.71 2d8i s ILE 21 CO 0.09 0.17 0.41 -1.61 0.00 0.00 0.00 174.94 174.00 2d8i s GLU 22 N -2.34 0.37 0.25 2.79 2.02 -1.25 -1.27 118.70 119.28 2d8i s GLU 22 Ca 0.35 0.87 0.08 0.00 0.02 0.00 0.00 54.97 56.29 2d8i s GLU 22 Cb -0.13 0.08 -0.04 0.00 0.10 0.00 0.00 34.13 34.15 2d8i s GLU 22 CO 0.23 -0.19 0.12 0.15 0.02 0.00 0.00 175.26 175.59 2d8i s LYS 23 N 1.79 2.68 -0.02 1.61 1.02 0.23 -4.95 119.74 122.10 2d8i s LYS 23 Ca -0.07 -1.18 -0.04 0.00 0.02 0.00 0.00 55.97 54.70 2d8i s LYS 23 Cb -0.09 -2.41 -0.02 0.00 -0.52 0.00 0.00 37.83 34.78 2d8i s LYS 23 CO -0.13 0.39 0.32 0.77 -0.92 0.00 0.00 175.35 175.79 2d8i h SER 24 N 1.69 -0.11 -3.19 2.83 0.02 -1.91 -3.45 113.55 109.44 2d8i h SER 24 Ca -0.47 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 59.90 2d8i h SER 24 Cb 1.24 0.03 -0.40 0.00 0.14 0.00 0.00 62.40 63.41 2d8i h SER 24 CO 0.61 0.05 -0.75 -0.62 -1.14 0.00 0.00 176.83 174.97 2d8i s ASP 25 N -3.56 4.08 0.56 3.07 2.15 -1.26 -4.98 116.67 116.73 2d8i s ASP 25 Ca -0.02 -1.68 0.29 0.00 0.43 0.00 0.00 52.55 51.57 2d8i s ASP 25 Cb 0.00 -0.92 1.46 0.00 -0.30 0.00 0.00 42.92 43.17 2d8i s ASP 25 CO 0.06 -0.41 1.92 0.71 -0.17 0.00 0.00 175.17 177.28 2d8i h THR 26 N 6.49 0.52 -0.95 1.71 1.35 -1.86 -1.40 112.91 118.78 2d8i h THR 26 Ca -0.13 0.00 0.29 0.00 -0.55 0.00 0.00 66.41 66.02 2d8i h THR 26 Cb 1.01 0.63 -0.16 0.00 -1.73 0.00 0.00 68.15 67.90 2d8i h THR 26 CO 0.48 0.00 0.31 0.00 -0.25 0.00 0.00 175.52 176.06 2d8i h ALA 27 N 1.56 1.55 0.00 6.62 0.00 -1.94 -3.33 119.26 123.71 2d8i h ALA 27 Ca 0.29 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.45 2d8i h ALA 27 Cb 1.31 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2d8i h ALA 27 CO -0.00 -0.59 -0.22 0.00 0.00 0.00 0.00 179.25 178.44 2d8i n ALA 28 N -2.63 2.38 -2.01 0.00 0.00 -0.62 -4.99 120.51 112.63 2d8i n ALA 28 Ca 0.27 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 2d8i n ALA 28 Cb 0.86 0.15 -0.03 0.00 0.00 0.00 0.00 19.45 20.44 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 -5.73 6.67 -0.03 0.00 1.11 -0.64 -5.00 116.67 113.06 2d8i s ASP 29 Ca -0.06 2.27 0.04 0.00 0.18 0.00 0.00 52.55 54.97 2d8i s ASP 29 Cb 0.01 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 2d8i s ASP 29 CO 0.09 -0.90 -0.15 0.28 1.18 0.00 0.00 175.17 175.67 2d8i s THR 30 N 3.68 1.22 0.00 -1.27 -1.32 -1.26 -3.86 115.64 112.83 2d8i s THR 30 Ca 0.73 -0.63 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 2d8i s THR 30 Cb -0.34 -1.04 0.00 0.00 -1.51 0.00 0.00 72.50 69.61 2d8i s THR 30 CO 0.30 0.35 0.66 -1.22 -2.21 0.00 0.00 174.62 172.50 2d8i n TYR 31 N 2.97 0.00 0.00 9.09 4.01 -1.26 -4.85 117.16 127.12 2d8i n TYR 31 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2d8i n TYR 31 Cb 0.54 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 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 -0.98 1.33 3.75 2.72 0.00 -1.26 -4.64 105.19 106.12 2d8i n GLY 32 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.08 3.40 0.34 1.61 -0.71 -1.26 -4.22 117.98 115.06 2d8i s PHE 33 Ca 0.00 0.32 0.08 0.00 -1.04 0.00 0.00 56.93 56.28 2d8i s PHE 33 Cb 0.00 -1.99 -0.03 0.00 -1.21 0.00 0.00 43.02 39.78 2d8i s PHE 33 CO 0.00 0.46 0.25 0.45 -1.34 0.00 0.00 175.22 175.04 2d8i s SER 34 N -0.37 5.12 -0.11 1.98 0.15 -1.14 -5.02 113.70 114.31 2d8i s SER 34 Ca 0.10 -0.57 0.03 0.00 0.70 0.00 0.00 55.95 56.21 2d8i s SER 34 Cb -0.12 -0.90 -0.00 0.00 -1.71 0.00 0.00 66.02 63.29 2d8i s SER 34 CO 0.01 -0.34 -0.21 -0.76 1.20 0.00 0.00 173.24 173.14 2d8i s LEU 35 N -3.95 2.22 -0.19 3.45 1.43 -1.26 -3.13 118.68 117.25 2d8i s LEU 35 Ca 0.40 -0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 52.90 2d8i s LEU 35 Cb -0.05 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2d8i s LEU 35 CO 0.25 0.14 0.06 -0.94 0.23 0.00 0.00 176.35 176.10 2d8i s SER 36 N 0.44 5.63 -0.10 2.29 1.04 0.52 -4.90 113.70 118.62 2d8i s SER 36 Ca -0.15 0.08 -0.16 0.00 0.48 0.00 0.00 55.95 56.19 2d8i s SER 36 Cb -0.17 -1.97 -0.05 0.00 0.10 0.00 0.00 66.02 63.93 2d8i s SER 36 CO 0.06 0.17 0.42 -0.44 0.98 0.00 0.00 173.24 174.42 2d8i s SER 37 N 0.42 6.66 -0.02 7.02 0.01 -1.26 -1.12 113.70 125.40 2d8i s SER 37 Ca 0.03 0.78 0.01 0.00 1.31 0.00 0.00 55.95 58.09 2d8i s SER 37 Cb -0.12 -2.25 0.01 0.00 0.21 0.00 0.00 66.02 63.86 2d8i s SER 37 CO 0.00 0.11 -0.05 -0.69 0.41 0.00 0.00 173.24 173.02 2d8i s VAL 38 N 0.15 0.48 -0.15 3.43 1.01 -0.23 -5.00 120.40 120.09 2d8i s VAL 38 Ca 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 2d8i s VAL 38 Cb -0.15 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 2d8i s VAL 38 CO 0.09 0.18 -0.14 -0.70 0.00 0.00 0.00 175.10 174.53 2d8i s GLU 39 N 0.40 3.29 -0.16 2.72 2.12 -1.26 -1.15 118.70 124.65 2d8i s GLU 39 Ca -0.05 -0.72 -0.03 0.00 0.36 0.00 0.00 54.97 54.54 2d8i s GLU 39 Cb -0.09 -2.65 0.05 0.00 0.26 0.00 0.00 34.13 31.70 2d8i s GLU 39 CO -0.00 0.07 0.03 -1.21 -0.54 0.00 0.00 175.26 173.61 2d8i s GLU 40 N 0.70 0.57 -1.37 4.30 0.41 -0.15 -4.82 118.70 118.34 2d8i s GLU 40 Ca -0.07 -0.26 -0.07 0.00 -0.41 0.00 0.00 54.97 54.16 2d8i s GLU 40 Cb -0.15 -1.82 0.01 0.00 -1.78 0.00 0.00 34.13 30.39 2d8i s GLU 40 CO 0.02 -0.57 0.95 -0.25 -0.49 0.00 0.00 175.26 174.92 2d8i n ASP 41 N 5.10 -6.14 0.00 -0.19 8.00 -1.26 -1.22 116.55 120.85 2d8i n ASP 41 Ca -0.08 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 54.98 2d8i n ASP 41 Cb 0.48 -4.82 0.00 0.00 -0.02 0.00 0.00 41.12 36.76 2d8i n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2d8i n GLY 42 N -1.80 2.46 3.49 0.44 0.00 -1.26 -4.98 105.19 103.54 2d8i n GLY 42 Ca -0.03 0.00 -0.43 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 -2.99 4.73 0.08 -0.61 1.01 -0.35 -5.04 121.20 118.02 2d8i s ILE 43 Ca 0.00 -0.10 -0.15 0.00 0.00 0.00 0.00 60.65 60.40 2d8i s ILE 43 Cb 0.00 -4.34 -0.06 0.00 0.01 0.00 0.00 42.46 38.07 2d8i s ILE 43 CO 0.00 -0.83 0.49 -0.60 0.00 0.00 0.00 174.94 174.00 2d8i s ARG 44 N 3.05 3.98 0.18 2.79 3.52 -1.26 -0.97 118.95 130.23 2d8i s ARG 44 Ca 0.22 0.48 -0.17 0.00 -0.13 0.00 0.00 55.73 56.12 2d8i s ARG 44 Cb -0.16 -3.09 0.03 0.00 -1.56 0.00 0.00 34.95 30.17 2d8i s ARG 44 CO 0.16 0.58 0.49 1.03 -0.81 0.00 0.00 175.30 176.76 2d8i s ARG 45 N -1.53 1.31 0.19 5.12 0.52 -0.30 -4.42 118.95 119.85 2d8i s ARG 45 Ca 0.31 -0.85 0.08 0.00 -0.52 0.00 0.00 55.73 54.76 2d8i s ARG 45 Cb -0.16 0.51 -0.04 0.00 0.52 0.00 0.00 34.95 35.77 2d8i s ARG 45 CO 0.17 -0.55 -0.04 -0.51 0.02 0.00 0.00 175.30 174.39 2d8i s LEU 46 N -2.86 3.15 -0.02 2.53 2.01 -1.26 -1.07 118.68 121.16 2d8i s LEU 46 Ca 0.08 -0.50 -0.14 0.00 0.01 0.00 0.00 54.13 53.58 2d8i s LEU 46 Cb -0.00 -1.80 0.02 0.00 0.01 0.00 0.00 46.19 44.42 2d8i s LEU 46 CO -0.04 0.09 0.30 -0.31 1.01 0.00 0.00 176.35 177.39 2d8i s TYR 47 N -1.78 -0.18 -0.62 0.29 2.02 -0.27 -2.67 117.35 114.14 2d8i s TYR 47 Ca 0.27 0.30 -0.27 0.00 -0.37 0.00 0.00 57.07 56.99 2d8i s TYR 47 Cb -0.09 0.09 0.02 0.00 -0.40 0.00 0.00 41.96 41.58 2d8i s TYR 47 CO 0.17 -0.36 1.40 0.08 -1.57 0.00 0.00 175.55 175.27 2d8i s VAL 48 N -1.17 3.74 -0.02 0.71 1.01 -0.75 -0.36 120.40 123.56 2d8i s VAL 48 Ca -0.12 0.57 -0.25 0.00 0.00 0.00 0.00 61.98 62.18 2d8i s VAL 48 Cb -0.05 -4.55 -0.20 0.00 0.00 0.00 0.00 36.38 31.58 2d8i s VAL 48 CO 0.04 -1.36 1.22 -1.13 0.00 0.00 0.00 175.10 173.87 2d8i h ASN 49 N 11.04 0.08 -5.03 3.32 -1.24 -1.81 -3.29 115.58 118.64 2d8i h ASN 49 Ca -0.27 -0.55 -0.15 0.00 0.71 0.00 0.00 56.30 56.04 2d8i h ASN 49 Cb 1.08 -0.02 -0.20 0.00 0.73 0.00 0.00 38.32 39.92 2d8i h ASN 49 CO 1.21 0.61 -0.64 -0.55 -1.29 0.00 0.00 177.43 176.77 2d8i s SER 50 N -5.85 0.24 0.13 1.15 0.15 -1.26 -4.85 113.70 103.40 2d8i s SER 50 Ca -0.16 -0.54 0.07 0.00 0.70 0.00 0.00 55.95 56.02 2d8i s SER 50 Cb 0.02 0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.44 2d8i s SER 50 CO 0.69 -0.38 -0.16 -0.69 1.20 0.00 0.00 173.24 173.90 2d8i s VAL 51 N -1.96 1.50 0.38 4.45 1.01 -1.26 -2.87 120.40 121.65 2d8i s VAL 51 Ca -0.11 -1.72 -0.23 0.00 0.00 0.00 0.00 61.98 59.92 2d8i s VAL 51 Cb -0.06 -1.59 -0.10 0.00 0.00 0.00 0.00 36.38 34.63 2d8i s VAL 51 CO -0.02 -0.33 0.95 -0.75 0.00 0.00 0.00 175.10 174.95 2d8i s LYS 52 N -2.54 4.38 0.03 2.72 2.20 -1.26 -4.88 119.74 120.39 2d8i s LYS 52 Ca 0.10 1.23 -0.29 0.00 -0.36 0.00 0.00 55.97 56.65 2d8i s LYS 52 Cb -0.06 -2.46 -0.04 0.00 -1.51 0.00 0.00 37.83 33.75 2d8i s LYS 52 CO 0.04 0.10 0.92 -1.21 -0.36 0.00 0.00 175.35 174.84 2d8i s GLU 53 N -2.66 4.58 -1.29 4.03 2.02 -1.26 -3.65 118.70 120.47 2d8i s GLU 53 Ca 0.57 1.33 -0.07 0.00 0.02 0.00 0.00 54.97 56.82 2d8i s GLU 53 Cb -0.14 -3.42 0.05 0.00 0.10 0.00 0.00 34.13 30.72 2d8i s GLU 53 CO 0.18 0.07 0.45 0.25 0.02 0.00 0.00 175.26 176.23 2d8i n THR 54 N 3.46 -1.10 -1.94 3.63 -2.24 -1.26 -4.95 114.28 109.88 2d8i n THR 54 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2d8i n THR 54 Cb 0.50 -2.05 0.00 0.00 -2.10 0.00 0.00 70.33 66.68 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 -1.18 1.12 0.06 3.38 0.00 -1.24 -5.02 105.19 102.32 2d8i n GLY 55 Ca -0.04 -1.96 -0.04 0.00 0.00 0.00 0.00 46.02 43.98 2d8i n GLY 55 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d8i h LEU 56 N 0.00 0.00 -0.72 0.99 3.38 -1.90 -3.25 115.31 113.81 2d8i h LEU 56 Ca 0.00 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.80 2d8i h LEU 56 Cb 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 2d8i h LEU 56 CO 0.00 0.63 -0.43 0.00 0.09 0.00 0.00 178.44 178.73 2d8i h ALA 57 N -0.77 -0.40 -0.57 1.53 0.00 -1.93 0.94 119.26 118.06 2d8i h ALA 57 Ca -0.00 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.10 2d8i h ALA 57 Cb 0.25 1.27 -0.11 0.00 0.00 0.00 0.00 17.79 19.20 2d8i h ALA 57 CO -0.00 -0.70 -0.28 0.66 0.00 0.00 0.00 179.25 178.93 2d8i h SER 58 N -0.00 -0.96 0.08 0.00 4.64 -1.75 -1.45 113.55 114.11 2d8i h SER 58 Ca 0.12 0.21 0.02 0.00 -0.47 0.00 0.00 61.79 61.66 2d8i h SER 58 Cb 0.30 0.50 -0.05 0.00 -0.31 0.00 0.00 62.40 62.84 2d8i h SER 58 CO -0.68 -0.28 -0.50 0.11 -0.87 0.00 0.00 176.83 174.61 2d8i h LYS 59 N -0.13 -0.68 -0.45 4.77 1.57 -0.93 -2.76 116.57 117.96 2d8i h LYS 59 Ca 0.25 0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.13 2d8i h LYS 59 Cb 0.52 0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.90 2d8i h LYS 59 CO -0.65 -0.45 -0.55 0.87 -0.57 0.00 0.00 179.45 178.10 2d8i h LYS 60 N -0.70 -0.35 0.00 3.15 6.56 -0.19 -3.44 116.57 121.60 2d8i h LYS 60 Ca 0.01 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 2d8i h LYS 60 Cb 0.73 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.47 2d8i h LYS 60 CO -0.30 -0.23 0.00 0.41 -2.06 0.00 0.00 179.45 177.26 2d8i n GLY 61 N -1.37 0.00 3.76 3.86 0.00 -0.63 -5.00 105.19 105.81 2d8i n GLY 61 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 3.40 0.29 0.99 1.43 -0.84 -4.99 118.68 118.97 2d8i s LEU 62 Ca 0.00 -0.62 -0.15 0.00 -1.03 0.00 0.00 54.13 52.33 2d8i s LEU 62 Cb 0.00 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.31 2d8i s LEU 62 CO 0.00 -0.23 0.62 -0.75 0.23 0.00 0.00 176.35 176.23 2d8i s LYS 63 N -3.85 1.79 -0.05 1.70 2.20 -1.26 -4.29 119.74 115.98 2d8i s LYS 63 Ca 0.37 -1.24 0.02 0.00 -0.36 0.00 0.00 55.97 54.76 2d8i s LYS 63 Cb -0.05 0.55 0.14 0.00 -1.51 0.00 0.00 37.83 36.96 2d8i s LYS 63 CO 0.23 -0.79 0.78 0.00 -0.36 0.00 0.00 175.35 175.21 2d8i n ALA 64 N -0.45 2.79 -2.72 3.13 0.00 -1.26 -3.69 120.51 118.31 2d8i n ALA 64 Ca -0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 53.44 53.02 2d8i n ALA 64 Cb 0.60 -1.03 0.10 0.00 0.00 0.00 0.00 19.45 19.13 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 0.12 1.95 3.57 0.00 0.00 -1.24 -4.66 105.19 104.94 2d8i n GLY 65 Ca 0.06 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 2d8i n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2d8i s ASP 66 N -1.99 4.16 -0.18 1.61 -1.08 -1.24 -4.98 116.67 112.96 2d8i s ASP 66 Ca 0.15 -0.80 -0.02 0.00 -0.52 0.00 0.00 52.55 51.37 2d8i s ASP 66 Cb 0.41 -0.63 -0.01 0.00 -1.46 0.00 0.00 42.92 41.24 2d8i s ASP 66 CO -0.10 0.02 -0.10 -0.70 0.52 0.00 0.00 175.17 174.81 2d8i s GLU 67 N -3.60 3.31 -0.53 4.34 -6.30 -1.26 -1.82 118.70 112.84 2d8i s GLU 67 Ca 0.31 -0.68 -0.25 0.00 -2.50 0.00 0.00 54.97 51.85 2d8i s GLU 67 Cb -0.06 -2.80 0.04 0.00 0.00 0.00 0.00 34.13 31.30 2d8i s GLU 67 CO 0.18 -0.06 0.98 0.42 0.02 0.00 0.00 175.26 176.79 2d8i s ILE 68 N 1.06 4.35 -0.02 -3.70 1.09 -1.09 -4.28 121.20 118.61 2d8i s ILE 68 Ca -0.00 0.50 -0.21 0.00 -1.10 0.00 0.00 60.65 59.83 2d8i s ILE 68 Cb -0.15 -4.54 -0.14 0.00 -1.06 0.00 0.00 42.46 36.58 2d8i s ILE 68 CO -0.02 -1.07 0.94 -0.07 -0.10 0.00 0.00 174.94 174.62 2d8i h LEU 69 N 11.01 -0.41 -8.35 2.97 3.38 -1.43 -3.38 115.31 119.09 2d8i h LEU 69 Ca -0.25 -0.13 -0.32 0.00 0.09 0.00 0.00 57.88 57.26 2d8i h LEU 69 Cb 1.07 0.11 -0.20 0.00 0.09 0.00 0.00 40.66 41.73 2d8i h LEU 69 CO 1.09 0.02 -0.74 -1.61 0.09 0.00 0.00 178.44 177.29 2d8i s GLU 70 N -3.95 0.74 -0.31 1.13 2.02 -1.24 -3.66 118.70 113.44 2d8i s GLU 70 Ca -0.12 -1.00 0.02 0.00 0.02 0.00 0.00 54.97 53.90 2d8i s GLU 70 Cb 0.01 -0.51 0.09 0.00 0.10 0.00 0.00 34.13 33.82 2d8i s GLU 70 CO 0.42 0.09 0.03 0.42 0.02 0.00 0.00 175.26 176.24 2d8i s ILE 71 N -1.91 1.81 -1.35 -1.63 1.01 -0.11 -1.61 121.20 117.42 2d8i s ILE 71 Ca -0.01 -1.86 -0.08 0.00 0.00 0.00 0.00 60.65 58.69 2d8i s ILE 71 Cb -0.06 -2.26 0.01 0.00 0.01 0.00 0.00 42.46 40.16 2d8i s ILE 71 CO 0.00 -0.48 1.17 0.59 0.00 0.00 0.00 174.94 176.22 2d8i n ASN 72 N 4.48 -5.99 -0.96 3.58 3.02 0.19 -1.86 115.26 117.73 2d8i n ASN 72 Ca -0.02 -0.55 -0.08 0.00 -0.03 0.00 0.00 54.58 53.90 2d8i n ASN 72 Cb 0.42 -5.02 -0.00 0.00 -0.61 0.00 0.00 39.78 34.57 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 -3.03 -2.90 -4.15 6.41 3.02 -1.26 -5.03 115.26 108.32 2d8i n ASN 73 Ca -0.02 -0.03 -0.24 0.00 -0.03 0.00 0.00 54.58 54.27 2d8i n ASN 73 Cb 0.57 -2.14 -0.15 0.00 -0.61 0.00 0.00 39.78 37.45 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 -4.50 1.37 -0.28 3.52 1.81 -0.78 -5.10 118.95 115.00 2d8i s ARG 74 Ca 0.02 -0.60 -0.29 0.00 -1.72 0.00 0.00 55.73 53.15 2d8i s ARG 74 Cb -0.01 -1.32 -0.02 0.00 -0.45 0.00 0.00 34.95 33.15 2d8i s ARG 74 CO 0.03 0.35 1.57 0.00 -0.68 0.00 0.00 175.30 176.57 2d8i s ALA 75 N -0.37 3.19 0.30 2.13 0.00 -1.26 -0.93 121.76 124.81 2d8i s ALA 75 Ca 0.06 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.32 2d8i s ALA 75 Cb -0.07 -3.88 0.70 0.00 0.00 0.00 0.00 23.12 19.87 2d8i s ALA 75 CO -0.01 -2.10 1.58 0.00 0.00 0.00 0.00 175.76 175.24 2d8i h ALA 76 N 10.87 1.10 -0.24 0.00 0.00 -1.87 1.42 119.26 130.54 2d8i h ALA 76 Ca -0.32 0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2d8i h ALA 76 Cb 1.14 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2d8i h ALA 76 CO 1.02 -0.54 -0.10 0.38 0.00 0.00 0.00 179.25 180.01 2d8i h ASP 77 N 0.03 0.37 0.62 0.00 3.04 -1.88 -2.05 116.42 116.55 2d8i h ASP 77 Ca 0.57 -0.08 -0.03 0.00 -3.24 0.00 0.00 57.03 54.24 2d8i h ASP 77 Cb 1.14 -0.10 -0.00 0.00 -1.04 0.00 0.00 39.33 39.32 2d8i h ASP 77 CO -0.88 0.52 -0.16 0.00 -2.04 0.00 0.00 179.24 176.68 2d8i h ALA 78 N 1.53 1.14 -2.62 4.15 0.00 0.15 -3.43 119.26 120.18 2d8i h ALA 78 Ca 0.07 -0.14 -0.55 0.00 0.00 0.00 0.00 54.91 54.29 2d8i h ALA 78 Cb 0.41 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2d8i h ALA 78 CO 0.02 0.20 0.01 -0.51 0.00 0.00 0.00 179.25 178.97 2d8i s LEU 79 N -6.97 4.43 0.24 0.00 1.43 -0.62 -5.00 118.68 112.18 2d8i s LEU 79 Ca -0.01 1.29 0.09 0.00 -1.03 0.00 0.00 54.13 54.47 2d8i s LEU 79 Cb 0.12 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 2d8i s LEU 79 CO 0.60 0.15 -0.01 0.21 0.23 0.00 0.00 176.35 177.53 2d8i s ASN 80 N -1.44 4.58 0.22 2.29 2.47 -1.26 -4.93 114.94 116.87 2d8i s ASN 80 Ca 0.36 -0.58 -0.02 0.00 0.42 0.00 0.00 52.86 53.05 2d8i s ASN 80 Cb -0.18 -0.88 0.47 0.00 -1.45 0.00 0.00 41.25 39.21 2d8i s ASN 80 CO 0.20 0.03 1.15 -0.24 -3.72 0.00 0.00 177.10 174.52 2d8i n SER 81 N -0.65 -0.16 0.03 -4.21 2.88 -1.26 -0.70 113.62 109.55 2d8i n SER 81 Ca -0.08 1.25 -0.02 0.00 -1.33 0.00 0.00 58.87 58.69 2d8i n SER 81 Cb 0.58 -0.42 -0.01 0.00 -0.75 0.00 0.00 64.21 63.60 2d8i n SER 81 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2d8i h SER 82 N 0.00 -0.19 -0.65 -3.46 0.87 -2.01 -2.05 113.55 106.06 2d8i h SER 82 Ca 0.41 0.02 0.12 0.00 -1.23 0.00 0.00 61.79 61.10 2d8i h SER 82 Cb 0.76 0.07 -0.12 0.00 -0.44 0.00 0.00 62.40 62.66 2d8i h SER 82 CO -0.72 -0.08 -0.30 0.24 -0.53 0.00 0.00 176.83 175.44 2d8i h MET 83 N -0.12 -0.11 -0.78 2.24 2.86 -1.30 -0.90 114.93 116.82 2d8i h MET 83 Ca -0.01 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.75 2d8i h MET 83 Cb 0.11 0.02 -0.13 0.00 0.06 0.00 0.00 31.60 31.66 2d8i h MET 83 CO -0.02 -0.07 -0.43 -0.07 1.06 0.00 0.00 176.91 177.37 2d8i h LEU 84 N -0.11 -1.55 -0.24 1.22 3.38 -1.00 0.01 115.31 117.02 2d8i h LEU 84 Ca 0.27 0.28 0.06 0.00 0.09 0.00 0.00 57.88 58.58 2d8i h LEU 84 Cb 0.55 0.74 -0.08 0.00 0.09 0.00 0.00 40.66 41.96 2d8i h LEU 84 CO -0.72 -0.30 -0.37 0.50 0.09 0.00 0.00 178.44 177.64 2d8i h LYS 85 N -0.11 -0.37 -0.95 1.13 3.64 -0.43 -0.02 116.57 119.46 2d8i h LYS 85 Ca 0.24 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.82 2d8i h LYS 85 Cb 0.55 0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.35 2d8i h LYS 85 CO -0.83 -0.24 0.54 0.22 -2.27 0.00 0.00 179.45 176.88 2d8i h ASP 86 N -0.38 0.67 -0.75 4.20 1.82 -0.76 0.10 116.42 121.33 2d8i h ASP 86 Ca 0.12 0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 56.82 2d8i h ASP 86 Cb 0.58 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.54 2d8i h ASP 86 CO -0.45 0.23 0.34 -0.26 -1.61 0.00 0.00 179.24 177.50 2d8i h PHE 87 N 0.69 1.10 0.00 0.28 -1.00 0.63 -1.90 116.94 116.74 2d8i h PHE 87 Ca 0.55 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 61.26 2d8i h PHE 87 Cb 0.85 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 40.07 2d8i h PHE 87 CO -0.04 0.82 0.00 -0.07 -1.61 0.00 0.00 178.31 177.41 2d8i h LEU 88 N 1.07 0.00 0.00 1.54 3.38 0.40 -2.82 115.31 118.87 2d8i h LEU 88 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2d8i h LEU 88 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2d8i h LEU 88 CO -0.03 0.00 0.00 -0.24 0.09 0.00 0.00 178.44 178.26 2d8i n SER 89 N -2.68 0.00 -4.90 -0.43 2.88 0.13 -4.80 113.62 103.82 2d8i n SER 89 Ca 0.03 -0.65 -0.31 0.00 -1.33 0.00 0.00 58.87 56.62 2d8i n SER 89 Cb 0.38 -0.10 -0.04 0.00 -0.75 0.00 0.00 64.21 63.69 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 -2.21 3.36 0.32 -1.46 -1.52 -1.07 -4.97 119.66 112.11 2d8i s GLN 90 Ca 0.39 -0.49 0.11 0.00 -1.95 0.00 0.00 55.36 53.42 2d8i s GLN 90 Cb 0.20 -2.99 0.54 0.00 -0.22 0.00 0.00 33.01 30.55 2d8i s GLN 90 CO 0.38 0.60 1.72 -1.00 -0.25 0.00 0.00 175.29 176.74 2d8i h PRO 91 N 3.04 0.01 -6.55 2.91 0.13 -1.87 -3.44 132.00 126.22 2d8i h PRO 91 Ca -0.45 -0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.99 2d8i h PRO 91 Cb 1.16 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.10 2d8i h PRO 91 CO 0.74 0.49 -0.77 -1.54 -0.23 0.00 0.00 178.00 176.69 2d8i s SER 92 N -6.89 4.11 -0.01 1.44 1.04 -1.26 0.74 113.70 112.87 2d8i s SER 92 Ca -0.02 -0.39 -0.29 0.00 0.48 0.00 0.00 55.95 55.72 2d8i s SER 92 Cb 0.14 -0.74 0.07 0.00 0.10 0.00 0.00 66.02 65.59 2d8i s SER 92 CO 0.74 0.23 0.66 -0.76 0.98 0.00 0.00 173.24 175.09 2d8i s LEU 93 N -1.77 -0.64 -0.12 2.42 1.43 -0.40 -4.98 118.68 114.62 2d8i s LEU 93 Ca 0.17 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 2d8i s LEU 93 Cb -0.11 2.55 0.02 0.00 0.03 0.00 0.00 46.19 48.68 2d8i s LEU 93 CO 0.09 -0.68 -0.12 -0.83 0.23 0.00 0.00 176.35 175.04 2d8i s GLY 94 N -1.50 0.97 0.31 -3.19 0.00 -1.26 -1.30 107.32 101.35 2d8i s GLY 94 Ca -0.09 -0.71 0.10 0.00 0.00 0.00 0.00 44.72 44.03 2d8i s GLY 94 CO 0.05 0.58 -0.06 1.08 0.00 0.00 0.00 173.10 174.75 2d8i s LEU 95 N 1.46 2.89 -0.31 0.66 1.43 -0.94 0.57 118.68 124.44 2d8i s LEU 95 Ca 0.02 -0.94 -0.01 0.00 -1.03 0.00 0.00 54.13 52.17 2d8i s LEU 95 Cb -0.13 -1.33 0.10 0.00 0.03 0.00 0.00 46.19 44.86 2d8i s LEU 95 CO -0.08 -0.10 0.12 -0.22 0.23 0.00 0.00 176.35 176.31 2d8i s LEU 96 N -3.64 1.79 0.10 1.79 2.96 -0.63 -1.61 118.68 119.44 2d8i s LEU 96 Ca 0.32 -1.64 0.07 0.00 -0.22 0.00 0.00 54.13 52.67 2d8i s LEU 96 Cb -0.03 -0.73 -0.04 0.00 0.50 0.00 0.00 46.19 45.90 2d8i s LEU 96 CO 0.18 -0.41 -0.10 0.68 -1.32 0.00 0.00 176.35 175.39 2d8i s VAL 97 N 1.64 3.40 0.09 1.68 -7.23 -1.09 -1.07 120.40 117.82 2d8i s VAL 97 Ca 0.10 -1.26 -0.17 0.00 -1.81 0.00 0.00 61.98 58.85 2d8i s VAL 97 Cb -0.18 -2.59 -0.07 0.00 0.56 0.00 0.00 36.38 34.10 2d8i s VAL 97 CO -0.25 0.11 0.53 -0.60 -0.31 0.00 0.00 175.10 174.58 2d8i s ARG 98 N -2.22 4.07 0.07 4.82 3.52 -1.26 -1.20 118.95 126.76 2d8i s ARG 98 Ca 0.22 0.59 0.02 0.00 -0.13 0.00 0.00 55.73 56.42 2d8i s ARG 98 Cb -0.11 -3.12 -0.03 0.00 -1.56 0.00 0.00 34.95 30.13 2d8i s ARG 98 CO 0.14 0.59 -0.07 -0.08 -0.81 0.00 0.00 175.30 175.07 2d8i s THR 99 N -1.24 0.60 -0.10 4.11 -1.32 0.08 -4.92 115.64 112.86 2d8i s THR 99 Ca 0.31 -1.50 -0.17 0.00 -1.21 0.00 0.00 61.69 59.12 2d8i s THR 99 Cb -0.17 -1.13 -0.04 0.00 -1.51 0.00 0.00 72.50 69.64 2d8i s THR 99 CO 0.18 -0.63 0.46 -0.31 -2.21 0.00 0.00 174.62 172.11 2d8i s TYR 100 N -2.49 3.54 0.24 9.09 2.02 -1.26 -0.88 117.35 127.61 2d8i s TYR 100 Ca 0.01 0.89 -0.30 0.00 -0.37 0.00 0.00 57.07 57.30 2d8i s TYR 100 Cb -0.02 -2.50 -0.09 0.00 -0.40 0.00 0.00 41.96 38.94 2d8i s TYR 100 CO -0.02 0.24 1.28 -1.25 -1.57 0.00 0.00 175.55 174.22 2d8i s PRO 101 N 0.37 4.42 0.47 -1.71 0.04 -1.26 -4.95 135.00 132.38 2d8i s PRO 101 Ca 0.25 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.42 2d8i s PRO 101 Cb -0.15 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.24 2d8i s PRO 101 CO 0.10 -0.17 0.53 -1.21 0.04 0.00 0.00 177.00 176.29 2d8i s GLU 102 N -0.64 2.53 0.01 4.56 2.02 -1.26 -5.10 118.70 120.82 2d8i s GLU 102 Ca 0.53 -1.54 -0.23 0.00 0.02 0.00 0.00 54.97 53.75 2d8i s GLU 102 Cb -0.36 -2.51 -0.05 0.00 0.10 0.00 0.00 34.13 31.31 2d8i s GLU 102 CO 0.42 -0.42 0.70 -0.51 0.02 0.00 0.00 175.26 175.46 2d8i s LEU 103 N -4.33 4.41 -1.39 1.80 2.01 -1.26 -4.11 118.68 115.80 2d8i s LEU 103 Ca 0.51 1.30 -0.18 0.00 0.01 0.00 0.00 54.13 55.78 2d8i s LEU 103 Cb -0.06 -3.10 0.18 0.00 0.01 0.00 0.00 46.19 43.22 2d8i s LEU 103 CO 0.31 0.02 0.44 -1.84 1.01 0.00 0.00 176.35 176.29 2d8i n GLU 104 N 2.97 -0.82 -0.39 1.70 0.00 -1.26 -4.83 120.64 118.01 2d8i n GLU 104 Ca -0.04 0.10 -0.29 0.00 0.00 0.00 0.00 57.16 56.94 2d8i n GLU 104 Cb 0.51 -3.54 0.27 0.00 0.00 0.00 0.00 31.44 28.67 2d8i n GLU 104 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 2d8i n GLU 105 N -3.15 -3.42 0.00 3.44 0.00 -1.26 -4.21 120.64 112.04 2d8i n GLU 105 Ca 0.09 -0.99 0.00 0.00 0.00 0.00 0.00 57.16 56.26 2d8i n GLU 105 Cb 0.34 -2.02 0.00 0.00 0.00 0.00 0.00 31.44 29.76 2d8i n GLU 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2d8i n GLY 106 N 1.48 1.88 3.80 -1.84 0.00 -1.26 -4.72 105.19 104.53 2d8i n GLY 106 Ca 0.06 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 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 3.80 0.38 1.61 -7.23 -1.26 -5.02 120.40 112.68 2d8i s VAL 107 Ca 0.00 0.75 -0.24 0.00 -1.81 0.00 0.00 61.98 60.68 2d8i s VAL 107 Cb 0.00 -3.34 -0.10 0.00 0.56 0.00 0.00 36.38 33.51 2d8i s VAL 107 CO 0.00 -0.60 0.98 -0.70 -0.31 0.00 0.00 175.10 174.48 2d8i s GLU 108 N -4.41 4.33 -0.02 4.82 2.56 -1.26 -5.06 118.70 119.66 2d8i s GLU 108 Ca 0.62 1.34 -0.29 0.00 0.00 0.00 0.00 54.97 56.65 2d8i s GLU 108 Cb -0.16 -2.54 0.09 0.00 2.00 0.00 0.00 34.13 33.52 2d8i s GLU 108 CO 0.44 0.04 0.78 -1.54 -0.56 0.00 0.00 175.26 174.41 2d8i s SER 109 N -1.75 -0.51 -0.47 -1.70 1.04 -1.26 -5.13 113.70 103.92 2d8i s SER 109 Ca 0.56 0.34 0.06 0.00 0.48 0.00 0.00 55.95 57.40 2d8i s SER 109 Cb -0.17 0.47 0.18 0.00 0.10 0.00 0.00 66.02 66.60 2d8i s SER 109 CO 0.22 -0.63 0.62 -0.83 0.98 0.00 0.00 173.24 173.60 2d8i s GLY 110 N -1.78 -0.74 -0.63 7.32 0.00 -1.26 -5.10 107.32 105.13 2d8i s GLY 110 Ca -0.03 -0.72 -0.26 0.00 0.00 0.00 0.00 44.72 43.70 2d8i s GLY 110 CO -0.01 3.32 1.87 2.56 0.00 0.00 0.00 173.10 180.84 2d8i s PRO 111 N 0.92 2.62 -0.28 2.90 0.04 -1.26 -4.90 135.00 135.05 2d8i s PRO 111 Ca 0.27 0.54 -0.01 0.00 0.04 0.00 0.00 61.00 61.84 2d8i s PRO 111 Cb -0.01 -4.44 0.17 0.00 0.04 0.00 0.00 34.50 30.26 2d8i s PRO 111 CO -0.08 -2.78 0.51 0.45 0.04 0.00 0.00 177.00 175.14 2d8i s SER 112 N 8.09 -0.73 0.67 6.66 0.15 -1.26 -5.15 113.70 122.13 2d8i s SER 112 Ca 0.67 0.58 -0.17 0.00 0.70 0.00 0.00 55.95 57.74 2d8i s SER 112 Cb -0.12 1.74 -0.03 0.00 -1.71 0.00 0.00 66.02 65.89 2d8i s SER 112 CO 0.19 -0.28 0.78 -0.24 1.20 0.00 0.00 173.24 174.89 2d8i n SER 113 N 5.40 -0.15 0.00 5.45 2.88 -1.26 -5.33 113.62 120.61 2d8i n SER 113 Ca -0.02 0.69 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 2d8i n SER 113 Cb 0.51 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 2d8i n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42