#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 0.14 -1.48 1.61 0.15 -1.26 -4.89 113.70 107.97 2d8i s SER 2 Ca 0.00 -1.05 -0.14 0.00 0.70 0.00 0.00 55.95 55.47 2d8i s SER 2 Cb 0.00 0.39 0.14 0.00 -1.71 0.00 0.00 66.02 64.84 2d8i s SER 2 CO 0.00 -0.84 0.35 -1.54 1.20 0.00 0.00 173.24 172.40 2d8i n SER 3 N -0.19 -0.81 -0.35 5.45 3.41 -1.26 -4.73 113.62 115.14 2d8i n SER 3 Ca -0.05 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.51 2d8i n SER 3 Cb 0.63 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 2d8i n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8i n GLY 4 N -1.37 1.15 3.80 5.00 0.00 -1.26 -5.16 105.19 107.35 2d8i n GLY 4 Ca -0.01 -0.71 -0.33 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 0.94 6.10 -0.90 1.61 0.01 -1.26 -4.89 113.70 115.30 2d8i s SER 5 Ca 0.00 1.85 -0.04 0.00 1.31 0.00 0.00 55.95 59.07 2d8i s SER 5 Cb 0.00 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 63.80 2d8i s SER 5 CO 0.00 -0.95 2.52 -1.54 0.41 0.00 0.00 173.24 173.68 2d8i n SER 6 N -1.52 7.30 0.00 2.44 3.41 -1.26 -3.81 113.62 120.18 2d8i n SER 6 Ca 0.09 -3.22 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 2d8i n SER 6 Cb 0.53 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 2d8i n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8i n GLY 7 N 1.17 1.14 3.54 5.00 0.00 -1.26 -4.02 105.19 110.77 2d8i n GLY 7 Ca 0.55 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 3.54 -0.74 1.61 2.02 -1.26 -5.03 118.70 118.84 2d8i s GLU 8 Ca 0.00 -0.52 -0.24 0.00 0.02 0.00 0.00 54.97 54.23 2d8i s GLU 8 Cb 0.00 -3.80 0.06 0.00 0.10 0.00 0.00 34.13 30.49 2d8i s GLU 8 CO 0.00 -0.47 1.14 0.42 0.02 0.00 0.00 175.26 176.37 2d8i s ILE 9 N 1.86 4.09 0.01 -1.63 1.01 -1.26 -4.84 121.20 120.44 2d8i s ILE 9 Ca 0.09 -0.20 -0.15 0.00 0.00 0.00 0.00 60.65 60.39 2d8i s ILE 9 Cb -0.17 -4.82 0.02 0.00 0.01 0.00 0.00 42.46 37.51 2d8i s ILE 9 CO 0.11 -1.66 0.32 -1.61 0.00 0.00 0.00 174.94 172.10 2d8i s GLU 10 N 4.69 0.74 0.56 2.79 8.01 -1.26 -5.03 118.70 129.20 2d8i s GLU 10 Ca 0.30 -0.30 0.25 0.00 0.01 0.00 0.00 54.97 55.23 2d8i s GLU 10 Cb -0.11 0.33 1.54 0.00 -4.31 0.00 0.00 34.13 31.57 2d8i s GLU 10 CO 0.09 -0.22 2.12 0.82 0.01 0.00 0.00 175.26 178.08 2d8i h ILE 11 N 3.56 0.67 -2.93 -1.63 2.04 -2.07 -3.24 117.51 113.92 2d8i h ILE 11 Ca -0.30 0.00 -0.61 0.00 1.00 0.00 0.00 64.86 64.94 2d8i h ILE 11 Cb 1.18 0.89 -0.41 0.00 -0.74 0.00 0.00 36.82 37.75 2d8i h ILE 11 CO 0.42 0.00 -0.68 0.00 0.00 0.00 0.00 178.15 177.90 2d8i n PRO 13 N 2.32 -2.89 -0.73 0.00 -0.04 -1.23 -4.92 135.00 127.51 2d8i n PRO 13 Ca 0.21 -1.53 -0.29 0.00 -0.04 0.00 0.00 63.50 61.85 2d8i n PRO 13 Cb 0.38 -1.43 0.22 0.00 -0.04 0.00 0.00 33.50 32.62 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 -5.17 -0.21 -0.00 0.54 3.01 -1.26 -4.66 119.74 111.98 2d8i s LYS 14 Ca 0.62 0.90 0.03 0.00 -1.01 0.00 0.00 55.97 56.51 2d8i s LYS 14 Cb -0.06 -1.63 -0.01 0.00 -1.01 0.00 0.00 37.83 35.12 2d8i s LYS 14 CO 0.48 -3.26 -0.09 0.14 0.51 0.00 0.00 175.35 173.12 2d8i s VAL 15 N -2.61 0.70 0.36 3.17 -7.23 0.73 -4.96 120.40 110.56 2d8i s VAL 15 Ca 0.67 -0.41 -0.06 0.00 -1.81 0.00 0.00 61.98 60.38 2d8i s VAL 15 Cb -0.23 -0.59 -0.05 0.00 0.56 0.00 0.00 36.38 36.07 2d8i s VAL 15 CO 0.62 0.18 0.65 0.42 -0.31 0.00 0.00 175.10 176.66 2d8i s THR 16 N -0.25 4.95 -0.02 5.32 -4.23 -1.26 -0.33 115.64 119.82 2d8i s THR 16 Ca 0.03 0.18 -0.01 0.00 -1.18 0.00 0.00 61.69 60.71 2d8i s THR 16 Cb -0.04 -3.77 0.02 0.00 1.34 0.00 0.00 72.50 70.05 2d8i s THR 16 CO -0.00 -0.49 0.04 0.00 -0.54 0.00 0.00 174.62 173.62 2d8i s GLN 17 N -3.92 -0.00 -0.40 3.99 -2.07 -0.56 -4.91 119.66 111.79 2d8i s GLN 17 Ca 0.46 0.15 -0.19 0.00 -1.82 0.00 0.00 55.36 53.96 2d8i s GLN 17 Cb -0.10 -0.15 0.01 0.00 -1.09 0.00 0.00 33.01 31.68 2d8i s GLN 17 CO 0.34 -0.11 0.54 -1.54 -1.32 0.00 0.00 175.29 173.20 2d8i s SER 18 N 0.69 6.29 -0.40 12.60 1.04 -1.26 -2.97 113.70 129.70 2d8i s SER 18 Ca -0.06 -0.29 -0.05 0.00 0.48 0.00 0.00 55.95 56.03 2d8i s SER 18 Cb -0.08 -2.28 0.09 0.00 0.10 0.00 0.00 66.02 63.85 2d8i s SER 18 CO -0.02 -0.61 0.20 -0.63 0.98 0.00 0.00 173.24 173.15 2d8i s ILE 19 N 2.49 3.65 -0.20 -1.02 1.01 -1.04 -5.03 121.20 121.07 2d8i s ILE 19 Ca 0.19 -1.66 -0.11 0.00 0.00 0.00 0.00 60.65 59.06 2d8i s ILE 19 Cb -0.15 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 2d8i s ILE 19 CO 0.15 -0.52 0.19 -1.38 0.00 0.00 0.00 174.94 173.39 2d8i s HIS 20 N 1.28 3.40 -0.11 3.97 -3.43 -1.26 -2.64 115.29 116.50 2d8i s HIS 20 Ca 0.04 0.38 -0.03 0.00 -0.80 0.00 0.00 55.06 54.65 2d8i s HIS 20 Cb -0.22 -2.25 -0.03 0.00 -1.43 0.00 0.00 32.58 28.64 2d8i s HIS 20 CO -0.01 0.21 0.01 0.42 -2.00 0.00 0.00 174.74 173.36 2d8i s ILE 21 N 0.61 4.34 -0.05 -5.38 1.01 0.11 -4.97 121.20 116.88 2d8i s ILE 21 Ca 0.10 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.54 2d8i s ILE 21 Cb -0.12 -2.85 0.02 0.00 0.01 0.00 0.00 42.46 39.51 2d8i s ILE 21 CO 0.01 0.57 -0.06 -1.61 0.00 0.00 0.00 174.94 173.85 2d8i s GLU 22 N -0.53 0.98 0.39 2.79 2.02 -1.26 -1.16 118.70 121.93 2d8i s GLU 22 Ca 0.09 -0.16 0.08 0.00 0.02 0.00 0.00 54.97 54.99 2d8i s GLU 22 Cb -0.12 -0.93 -0.02 0.00 0.10 0.00 0.00 34.13 33.17 2d8i s GLU 22 CO 0.02 -0.05 0.40 0.15 0.02 0.00 0.00 175.26 175.80 2d8i s LYS 23 N 0.83 2.68 -0.11 1.61 1.02 -0.44 -5.03 119.74 120.30 2d8i s LYS 23 Ca -0.12 -1.38 -0.01 0.00 0.02 0.00 0.00 55.97 54.47 2d8i s LYS 23 Cb -0.15 -2.51 -0.25 0.00 -0.52 0.00 0.00 37.83 34.41 2d8i s LYS 23 CO 0.01 -0.12 0.38 0.43 -0.92 0.00 0.00 175.35 175.13 2d8i n SER 24 N -1.57 1.80 -3.68 2.83 7.64 -1.26 -4.93 113.62 114.45 2d8i n SER 24 Ca 0.03 0.23 -0.09 0.00 1.01 0.00 0.00 58.87 60.05 2d8i n SER 24 Cb 0.60 -0.62 -0.10 0.00 -1.01 0.00 0.00 64.21 63.09 2d8i n SER 24 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2d8i s ASP 25 N -6.77 -0.54 0.21 6.43 1.11 -1.26 -5.02 116.67 110.83 2d8i s ASP 25 Ca -0.19 1.04 0.25 0.00 0.18 0.00 0.00 52.55 53.83 2d8i s ASP 25 Cb 0.07 1.08 0.60 0.00 1.07 0.00 0.00 42.92 45.74 2d8i s ASP 25 CO 0.77 -0.21 1.61 0.71 1.18 0.00 0.00 175.17 179.23 2d8i h THR 26 N 5.66 0.00 -0.09 -1.27 1.35 -1.92 -1.00 112.91 115.64 2d8i h THR 26 Ca -0.29 -0.55 -0.04 0.00 -0.55 0.00 0.00 66.41 64.97 2d8i h THR 26 Cb 1.17 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.99 2d8i h THR 26 CO 0.22 0.00 -0.13 0.00 -0.25 0.00 0.00 175.52 175.36 2d8i h ALA 27 N 2.45 1.62 0.00 6.62 0.00 -2.02 -3.41 119.26 124.53 2d8i h ALA 27 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2d8i h ALA 27 Cb 0.78 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2d8i h ALA 27 CO 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 179.25 179.52 2d8i n ALA 28 N -2.50 3.00 -1.96 0.00 0.00 -1.23 -4.99 120.51 112.83 2d8i n ALA 28 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.09 2d8i n ALA 28 Cb 0.24 0.12 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 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 -5.47 5.07 -0.02 0.00 1.01 -0.38 -4.95 116.67 111.93 2d8i s ASP 29 Ca 0.00 0.12 0.06 0.00 0.71 0.00 0.00 52.55 53.45 2d8i s ASP 29 Cb 0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 2d8i s ASP 29 CO 0.00 -2.62 -0.21 0.42 0.21 0.00 0.00 175.17 172.97 2d8i s THR 30 N 10.02 2.51 1.00 -1.27 -4.23 -1.26 -4.08 115.64 118.32 2d8i s THR 30 Ca 0.73 -0.98 -0.18 0.00 -1.18 0.00 0.00 61.69 60.07 2d8i s THR 30 Cb -0.11 -1.94 -0.12 0.00 1.34 0.00 0.00 72.50 71.67 2d8i s THR 30 CO 0.15 0.55 -0.71 -1.22 -0.54 0.00 0.00 174.62 172.85 2d8i n TYR 31 N 2.28 -3.71 -1.52 3.99 4.01 -1.26 -4.94 117.16 116.02 2d8i n TYR 31 Ca -0.17 0.15 0.04 0.00 -0.16 0.00 0.00 57.90 57.76 2d8i n TYR 31 Cb 0.52 -1.49 0.06 0.00 -0.31 0.00 0.00 39.34 38.12 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 3.10 2.29 3.47 2.72 0.00 -1.26 -5.05 105.19 110.46 2d8i n GLY 32 Ca -0.00 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.24 2.87 0.12 1.61 -0.71 -1.26 -2.52 117.98 116.86 2d8i s PHE 33 Ca 0.13 -0.31 0.02 0.00 -1.04 0.00 0.00 56.93 55.74 2d8i s PHE 33 Cb 0.12 -1.80 -0.04 0.00 -1.21 0.00 0.00 43.02 40.09 2d8i s PHE 33 CO 0.01 0.04 0.24 -1.54 -1.34 0.00 0.00 175.22 172.63 2d8i s SER 34 N -0.13 6.20 -0.15 1.98 1.04 -0.90 -4.95 113.70 116.80 2d8i s SER 34 Ca 0.00 0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.60 2d8i s SER 34 Cb -0.13 -1.84 0.01 0.00 0.10 0.00 0.00 66.02 64.15 2d8i s SER 34 CO 0.03 0.09 -0.20 -0.76 0.98 0.00 0.00 173.24 173.38 2d8i s LEU 35 N -2.99 2.19 0.17 2.42 1.43 -1.26 -1.24 118.68 119.39 2d8i s LEU 35 Ca 0.34 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 52.91 2d8i s LEU 35 Cb -0.11 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 2d8i s LEU 35 CO 0.27 0.07 0.13 -0.55 0.23 0.00 0.00 176.35 176.51 2d8i s SER 36 N 0.88 5.47 -0.12 2.29 0.15 0.45 -4.90 113.70 117.92 2d8i s SER 36 Ca -0.05 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2d8i s SER 36 Cb -0.15 -1.41 -0.02 0.00 -1.71 0.00 0.00 66.02 62.73 2d8i s SER 36 CO -0.03 0.06 -0.12 -0.94 1.20 0.00 0.00 173.24 173.41 2d8i s SER 37 N -3.16 4.09 -0.19 5.45 1.04 -1.26 -0.61 113.70 119.07 2d8i s SER 37 Ca 0.31 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.46 2d8i s SER 37 Cb -0.10 -1.50 0.04 0.00 0.10 0.00 0.00 66.02 64.56 2d8i s SER 37 CO 0.23 0.20 -0.10 -0.69 0.98 0.00 0.00 173.24 173.86 2d8i s VAL 38 N 0.16 1.56 -0.18 5.02 1.01 0.61 -4.97 120.40 123.61 2d8i s VAL 38 Ca -0.07 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 2d8i s VAL 38 Cb -0.15 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 2d8i s VAL 38 CO 0.05 0.21 0.35 -0.70 0.00 0.00 0.00 175.10 175.01 2d8i s GLU 39 N 1.44 4.21 -0.12 2.72 2.12 -1.26 -1.06 118.70 126.75 2d8i s GLU 39 Ca 0.00 0.15 -0.04 0.00 0.36 0.00 0.00 54.97 55.44 2d8i s GLU 39 Cb -0.15 -3.49 0.06 0.00 0.26 0.00 0.00 34.13 30.80 2d8i s GLU 39 CO -0.09 0.08 0.21 -1.21 -0.54 0.00 0.00 175.26 173.71 2d8i s GLU 40 N 0.95 0.10 -1.77 4.30 2.02 -0.87 -4.85 118.70 118.57 2d8i s GLU 40 Ca 0.18 0.60 0.00 0.00 0.02 0.00 0.00 54.97 55.77 2d8i s GLU 40 Cb -0.14 -0.28 0.00 0.00 0.10 0.00 0.00 34.13 33.81 2d8i s GLU 40 CO 0.07 -0.34 0.00 -0.25 0.02 0.00 0.00 175.26 174.76 2d8i n ASP 41 N 5.34 -5.76 0.00 -0.19 9.92 -1.26 -0.95 116.55 123.64 2d8i n ASP 41 Ca -0.05 0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 2d8i n ASP 41 Cb 0.50 -4.80 0.00 0.00 -0.64 0.00 0.00 41.12 36.18 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 -0.98 2.32 3.49 0.44 0.00 -1.26 -4.99 105.19 104.21 2d8i n GLY 42 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.43 4.59 -0.16 -0.61 1.01 -0.13 -5.02 121.20 118.45 2d8i s ILE 43 Ca 0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 60.65 60.29 2d8i s ILE 43 Cb 0.00 -4.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.02 2d8i s ILE 43 CO 0.00 -1.00 0.93 -0.60 0.00 0.00 0.00 174.94 174.27 2d8i s ARG 44 N 3.39 4.33 0.26 2.79 3.52 -1.26 -2.06 118.95 129.91 2d8i s ARG 44 Ca 0.23 1.20 0.09 0.00 -0.13 0.00 0.00 55.73 57.13 2d8i s ARG 44 Cb -0.16 -3.58 -0.05 0.00 -1.56 0.00 0.00 34.95 29.60 2d8i s ARG 44 CO 0.16 -0.39 -0.15 1.03 -0.81 0.00 0.00 175.30 175.14 2d8i s ARG 45 N 2.32 1.55 -0.02 5.12 3.00 -0.23 -3.97 118.95 126.73 2d8i s ARG 45 Ca 0.42 -1.72 0.04 0.00 0.00 0.00 0.00 55.73 54.47 2d8i s ARG 45 Cb -0.17 -1.43 -0.03 0.00 0.00 0.00 0.00 34.95 33.32 2d8i s ARG 45 CO 0.13 0.21 -0.14 -0.51 0.00 0.00 0.00 175.30 174.99 2d8i s LEU 46 N -3.44 2.78 -0.08 2.53 2.01 -1.25 -0.28 118.68 120.95 2d8i s LEU 46 Ca 0.27 -0.24 -0.05 0.00 0.01 0.00 0.00 54.13 54.12 2d8i s LEU 46 Cb -0.01 -1.59 0.03 0.00 0.01 0.00 0.00 46.19 44.62 2d8i s LEU 46 CO 0.12 0.31 0.19 -0.31 1.01 0.00 0.00 176.35 177.67 2d8i s TYR 47 N -0.83 -0.22 0.26 0.29 1.51 0.22 -0.88 117.35 117.70 2d8i s TYR 47 Ca 0.13 0.56 -0.30 0.00 -1.01 0.00 0.00 57.07 56.45 2d8i s TYR 47 Cb -0.11 0.03 -0.11 0.00 -0.11 0.00 0.00 41.96 41.66 2d8i s TYR 47 CO 0.03 -0.15 1.57 0.08 -1.11 0.00 0.00 175.55 175.97 2d8i s VAL 48 N 0.64 2.26 -0.22 0.71 1.01 -1.19 -0.41 120.40 123.20 2d8i s VAL 48 Ca -0.04 0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 2d8i s VAL 48 Cb -0.06 -3.14 -0.19 0.00 0.00 0.00 0.00 36.38 33.00 2d8i s VAL 48 CO -0.03 0.03 -0.05 -3.20 0.00 0.00 0.00 175.10 171.85 2d8i n ASN 49 N 2.56 2.01 -3.81 3.32 2.85 -0.38 -1.61 115.26 120.20 2d8i n ASN 49 Ca 0.09 0.09 -0.09 0.00 -0.11 0.00 0.00 54.58 54.56 2d8i n ASN 49 Cb 0.38 -0.65 -0.07 0.00 1.24 0.00 0.00 39.78 40.68 2d8i n ASN 49 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2d8i s SER 50 N -6.86 0.03 -0.11 1.20 0.15 -1.25 -4.64 113.70 102.22 2d8i s SER 50 Ca -0.32 -0.58 -0.04 0.00 0.70 0.00 0.00 55.95 55.71 2d8i s SER 50 Cb 0.09 0.38 0.05 0.00 -1.71 0.00 0.00 66.02 64.83 2d8i s SER 50 CO 0.63 -0.77 0.22 -0.69 1.20 0.00 0.00 173.24 173.83 2d8i s VAL 51 N -3.85 -0.29 0.12 4.45 1.01 -1.26 -2.11 120.40 118.47 2d8i s VAL 51 Ca 0.05 0.28 -0.31 0.00 0.00 0.00 0.00 61.98 62.00 2d8i s VAL 51 Cb 0.04 -0.37 -0.09 0.00 0.00 0.00 0.00 36.38 35.95 2d8i s VAL 51 CO -0.11 0.12 1.61 -1.59 0.00 0.00 0.00 175.10 175.13 2d8i s LYS 52 N 2.12 4.21 0.04 2.72 -2.85 -1.05 -4.92 119.74 120.01 2d8i s LYS 52 Ca -0.01 2.35 -0.29 0.00 -1.00 0.00 0.00 55.97 57.02 2d8i s LYS 52 Cb -0.12 -3.36 -0.16 0.00 -2.06 0.00 0.00 37.83 32.13 2d8i s LYS 52 CO -0.07 -0.66 1.41 1.49 0.10 0.00 0.00 175.35 177.62 2d8i h GLU 53 N 7.50 -1.02 -2.38 1.78 4.81 -2.00 -3.10 114.58 120.16 2d8i h GLU 53 Ca -0.43 0.07 -0.26 0.00 -0.13 0.00 0.00 59.36 58.61 2d8i h GLU 53 Cb 1.20 0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.78 2d8i h GLU 53 CO 0.92 -0.68 0.63 0.25 -0.73 0.00 0.00 179.01 179.40 2d8i n THR 54 N -4.91 2.84 -2.48 0.32 -2.24 -1.26 -4.51 114.28 102.04 2d8i n THR 54 Ca -0.13 -1.50 0.00 0.00 -2.27 0.00 0.00 64.05 60.14 2d8i n THR 54 Cb 0.42 -2.05 0.00 0.00 -2.10 0.00 0.00 70.33 66.59 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 2.83 5.84 0.22 3.38 0.00 -1.17 -5.09 105.19 111.19 2d8i n GLY 55 Ca 0.44 -1.58 -0.19 0.00 0.00 0.00 0.00 46.02 44.68 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 2.19 -0.12 0.99 4.77 -1.26 -4.23 117.00 119.34 2d8i n LEU 56 Ca 0.00 0.10 -0.06 0.00 -0.03 0.00 0.00 56.01 56.02 2d8i n LEU 56 Cb 0.00 -0.68 0.01 0.00 -2.33 0.00 0.00 43.42 40.42 2d8i n LEU 56 CO 0.00 0.63 0.69 0.00 -1.33 0.00 0.00 177.39 177.39 2d8i h ALA 57 N -0.43 0.03 0.05 -1.18 0.00 -1.95 0.40 119.26 116.18 2d8i h ALA 57 Ca -0.51 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2d8i h ALA 57 Cb 1.59 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 19.93 2d8i h ALA 57 CO -0.22 -0.61 -0.03 1.03 0.00 0.00 0.00 179.25 179.42 2d8i h SER 58 N -0.16 -0.08 -1.13 0.00 0.87 -1.74 -0.35 113.55 110.96 2d8i h SER 58 Ca 0.20 0.00 0.34 0.00 -1.23 0.00 0.00 61.79 61.10 2d8i h SER 58 Cb 0.47 0.02 -0.12 0.00 -0.44 0.00 0.00 62.40 62.33 2d8i h SER 58 CO -0.51 -0.05 0.71 0.07 -0.53 0.00 0.00 176.83 176.51 2d8i h LYS 59 N -0.08 0.25 0.00 2.24 2.10 -1.70 -2.33 116.57 117.05 2d8i h LYS 59 Ca -0.01 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2d8i h LYS 59 Cb 0.06 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 2d8i h LYS 59 CO 0.01 0.17 0.00 1.63 -2.00 0.00 0.00 179.45 179.26 2d8i n LYS 60 N -4.78 0.00 0.00 0.07 4.76 0.14 -4.91 118.16 113.44 2d8i n LYS 60 Ca 0.32 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 56.16 2d8i n LYS 60 Cb 1.11 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.91 2d8i n LYS 60 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2d8i n GLY 61 N -0.81 0.00 3.62 0.72 0.00 -0.54 -5.09 105.19 103.10 2d8i n GLY 61 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 3.18 0.02 0.99 1.43 -0.25 -5.02 118.68 119.03 2d8i s LEU 62 Ca 0.00 -0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 52.49 2d8i s LEU 62 Cb 0.00 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 44.38 2d8i s LEU 62 CO 0.00 0.11 0.40 -0.75 0.23 0.00 0.00 176.35 176.34 2d8i s LYS 63 N -2.75 0.87 -0.55 1.70 2.20 -1.26 -4.25 119.74 115.70 2d8i s LYS 63 Ca 0.26 -0.29 -0.26 0.00 -0.36 0.00 0.00 55.97 55.31 2d8i s LYS 63 Cb -0.10 0.39 -0.08 0.00 -1.51 0.00 0.00 37.83 36.53 2d8i s LYS 63 CO 0.17 -0.28 2.39 0.00 -0.36 0.00 0.00 175.35 177.26 2d8i s ALA 64 N -2.15 1.48 0.00 3.13 0.00 -1.26 -2.37 121.76 120.60 2d8i s ALA 64 Ca -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2d8i s ALA 64 Cb -0.02 -4.39 0.00 0.00 0.00 0.00 0.00 23.12 18.72 2d8i s ALA 64 CO -0.00 -4.70 0.00 0.41 0.00 0.00 0.00 175.76 171.46 2d8i n GLY 65 N 6.14 1.18 3.67 0.00 0.00 -0.63 -4.96 105.19 110.58 2d8i n GLY 65 Ca 0.38 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.15 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 0.75 -3.92 1.61 9.92 -1.00 -4.86 116.55 119.05 2d8i n ASP 66 Ca 0.00 -1.80 -0.29 0.00 -0.53 0.00 0.00 54.79 52.17 2d8i n ASP 66 Cb 0.00 -0.77 -0.16 0.00 -0.64 0.00 0.00 41.12 39.55 2d8i n ASP 66 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2d8i s GLU 67 N -5.32 1.58 -0.31 -1.24 2.56 -1.26 -3.19 118.70 111.53 2d8i s GLU 67 Ca 0.67 -0.74 -0.22 0.00 0.00 0.00 0.00 54.97 54.68 2d8i s GLU 67 Cb -0.03 -2.30 -0.00 0.00 2.00 0.00 0.00 34.13 33.80 2d8i s GLU 67 CO 0.45 -0.50 0.71 0.42 -0.56 0.00 0.00 175.26 175.79 2d8i s ILE 68 N 1.52 4.86 -0.19 -3.70 -1.09 -0.06 -4.23 121.20 118.31 2d8i s ILE 68 Ca -0.02 1.03 -0.16 0.00 -2.23 0.00 0.00 60.65 59.27 2d8i s ILE 68 Cb -0.17 -4.08 -0.11 0.00 -1.58 0.00 0.00 42.46 36.52 2d8i s ILE 68 CO -0.07 -0.20 -0.04 0.18 -1.23 0.00 0.00 174.94 173.58 2d8i n LEU 69 N 6.05 1.86 -4.07 2.97 4.77 -0.90 -3.95 117.00 123.73 2d8i n LEU 69 Ca 0.01 0.49 -0.09 0.00 -0.03 0.00 0.00 56.01 56.39 2d8i n LEU 69 Cb 0.48 -0.90 -0.10 0.00 -2.33 0.00 0.00 43.42 40.57 2d8i n LEU 69 CO 0.48 -0.01 -0.37 -1.61 -1.33 0.00 0.00 177.39 174.55 2d8i s GLU 70 N -2.37 0.56 -0.21 3.23 8.01 -1.24 -3.81 118.70 122.86 2d8i s GLU 70 Ca -0.25 -1.03 -0.03 0.00 0.01 0.00 0.00 54.97 53.67 2d8i s GLU 70 Cb 0.05 0.07 0.07 0.00 -4.31 0.00 0.00 34.13 30.01 2d8i s GLU 70 CO 0.43 -0.06 0.07 0.42 0.01 0.00 0.00 175.26 176.13 2d8i s ILE 71 N -2.98 0.28 -1.44 -1.63 1.01 -0.63 -1.92 121.20 113.90 2d8i s ILE 71 Ca 0.00 -0.55 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 2d8i s ILE 71 Cb 0.01 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.54 2d8i s ILE 71 CO -0.06 -0.36 0.89 0.59 0.00 0.00 0.00 174.94 176.00 2d8i n ASN 72 N 5.13 -6.22 -1.65 3.58 3.02 -0.08 -2.06 115.26 116.98 2d8i n ASN 72 Ca -0.07 -0.41 -0.10 0.00 -0.03 0.00 0.00 54.58 53.97 2d8i n ASN 72 Cb 0.46 -4.94 0.03 0.00 -0.61 0.00 0.00 39.78 34.72 2d8i n ASN 72 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2d8i n ASN 73 N -2.70 -3.74 -4.06 6.41 5.15 -1.26 -5.04 115.26 110.02 2d8i n ASN 73 Ca -0.05 -0.18 -0.19 0.00 -0.60 0.00 0.00 54.58 53.56 2d8i n ASN 73 Cb 0.59 -2.47 -0.14 0.00 -0.53 0.00 0.00 39.78 37.22 2d8i n ASN 73 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2d8i s ARG 74 N -5.30 0.78 -0.24 1.20 1.81 -0.88 -5.12 118.95 111.20 2d8i s ARG 74 Ca 0.19 -0.47 -0.29 0.00 -1.72 0.00 0.00 55.73 53.44 2d8i s ARG 74 Cb -0.09 -0.74 0.01 0.00 -0.45 0.00 0.00 34.95 33.68 2d8i s ARG 74 CO 0.24 0.19 1.13 0.00 -0.68 0.00 0.00 175.30 176.18 2d8i s ALA 75 N -0.47 3.61 0.22 2.13 0.00 -1.26 -1.60 121.76 124.38 2d8i s ALA 75 Ca 0.02 0.18 -0.16 0.00 0.00 0.00 0.00 51.96 52.00 2d8i s ALA 75 Cb -0.05 -3.62 0.24 0.00 0.00 0.00 0.00 23.12 19.69 2d8i s ALA 75 CO 0.00 -1.25 1.58 0.00 0.00 0.00 0.00 175.76 176.09 2d8i h ALA 76 N 7.96 0.22 -0.98 0.00 0.00 -1.90 0.56 119.26 125.11 2d8i h ALA 76 Ca -0.22 0.25 0.15 0.00 0.00 0.00 0.00 54.91 55.10 2d8i h ALA 76 Cb 1.07 0.78 -0.09 0.00 0.00 0.00 0.00 17.79 19.56 2d8i h ALA 76 CO 1.00 -0.56 0.61 0.38 0.00 0.00 0.00 179.25 180.68 2d8i h ASP 77 N -0.06 0.79 0.25 0.00 2.03 -1.90 0.95 116.42 118.47 2d8i h ASP 77 Ca 0.32 0.06 -0.10 0.00 -0.73 0.00 0.00 57.03 56.58 2d8i h ASP 77 Cb 0.58 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 38.98 2d8i h ASP 77 CO -0.82 0.37 -0.40 0.00 -1.03 0.00 0.00 179.24 177.36 2d8i h ALA 78 N 1.59 1.15 -2.68 4.15 0.00 -0.32 -3.43 119.26 119.72 2d8i h ALA 78 Ca 0.51 -0.40 -0.52 0.00 0.00 0.00 0.00 54.91 54.51 2d8i h ALA 78 Cb 0.72 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2d8i h ALA 78 CO -0.29 0.57 0.25 -0.51 0.00 0.00 0.00 179.25 179.27 2d8i s LEU 79 N -8.26 4.55 0.44 0.00 1.43 0.33 -5.03 118.68 112.14 2d8i s LEU 79 Ca -0.04 1.68 0.06 0.00 -1.03 0.00 0.00 54.13 54.80 2d8i s LEU 79 Cb 0.14 -3.40 -0.05 0.00 0.03 0.00 0.00 46.19 42.91 2d8i s LEU 79 CO 0.76 0.09 0.09 0.54 0.23 0.00 0.00 176.35 178.06 2d8i s ASN 80 N -0.61 4.15 0.34 2.29 4.22 -1.26 -4.90 114.94 119.17 2d8i s ASN 80 Ca 0.40 -1.34 0.13 0.00 -2.14 0.00 0.00 52.86 49.91 2d8i s ASN 80 Cb -0.23 -0.17 1.10 0.00 1.28 0.00 0.00 41.25 43.24 2d8i s ASN 80 CO 0.27 -0.61 1.58 -1.28 -2.04 0.00 0.00 177.10 175.02 2d8i h SER 81 N 1.51 -0.02 0.59 3.54 0.87 -1.97 0.13 113.55 118.20 2d8i h SER 81 Ca -0.43 0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 60.38 2d8i h SER 81 Cb 1.26 0.36 -0.01 0.00 -0.44 0.00 0.00 62.40 63.58 2d8i h SER 81 CO 0.75 -0.41 -0.43 0.28 -0.53 0.00 0.00 176.83 176.49 2d8i h SER 82 N 0.00 -1.12 0.08 6.23 0.02 -2.00 -1.99 113.55 114.77 2d8i h SER 82 Ca 0.75 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.79 2d8i h SER 82 Cb 1.83 0.34 -0.03 0.00 0.14 0.00 0.00 62.40 64.68 2d8i h SER 82 CO -0.84 -0.62 -0.21 0.24 -1.14 0.00 0.00 176.83 174.26 2d8i h MET 83 N -0.98 -0.36 -0.92 3.45 2.86 -1.24 -2.44 114.93 115.30 2d8i h MET 83 Ca -0.08 0.02 0.22 0.00 -2.06 0.00 0.00 59.70 57.80 2d8i h MET 83 Cb 0.80 0.08 -0.17 0.00 0.06 0.00 0.00 31.60 32.38 2d8i h MET 83 CO 0.04 -0.24 -0.09 -0.07 1.06 0.00 0.00 176.91 177.60 2d8i h LEU 84 N -0.38 -0.63 -0.40 1.22 3.38 -0.85 0.46 115.31 118.11 2d8i h LEU 84 Ca 0.04 0.26 0.04 0.00 0.09 0.00 0.00 57.88 58.31 2d8i h LEU 84 Cb 0.41 0.50 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 2d8i h LEU 84 CO -0.14 -0.30 0.16 0.50 0.09 0.00 0.00 178.44 178.76 2d8i h LYS 85 N 0.02 0.33 -0.71 1.13 3.64 -0.88 -0.68 116.57 119.43 2d8i h LYS 85 Ca 0.50 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.91 2d8i h LYS 85 Cb 0.89 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.59 2d8i h LYS 85 CO -0.89 0.22 0.42 0.22 -2.27 0.00 0.00 179.45 177.15 2d8i h ASP 86 N 0.34 0.65 -0.03 4.20 1.82 0.08 -1.00 116.42 122.48 2d8i h ASP 86 Ca 0.18 0.02 -0.07 0.00 -0.39 0.00 0.00 57.03 56.77 2d8i h ASP 86 Cb 0.14 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.02 2d8i h ASP 86 CO -0.17 0.43 -0.17 -0.26 -1.61 0.00 0.00 179.24 177.46 2d8i h PHE 87 N 0.78 0.41 0.00 0.28 0.04 -0.57 -1.89 116.94 115.99 2d8i h PHE 87 Ca 0.31 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 61.01 2d8i h PHE 87 Cb 0.14 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.18 2d8i h PHE 87 CO -0.06 0.54 0.00 1.28 -0.60 0.00 0.00 178.31 179.47 2d8i n LEU 88 N -4.20 0.50 -2.14 1.54 4.77 -0.32 -3.13 117.00 114.02 2d8i n LEU 88 Ca -0.00 0.57 -0.24 0.00 -0.03 0.00 0.00 56.01 56.30 2d8i n LEU 88 Cb 0.33 -0.43 0.16 0.00 -2.33 0.00 0.00 43.42 41.15 2d8i n LEU 88 CO 0.40 -0.21 1.25 -1.20 -1.33 0.00 0.00 177.39 176.29 2d8i n SER 89 N -1.99 4.46 -4.38 -1.43 7.64 -0.48 -4.82 113.62 112.61 2d8i n SER 89 Ca 0.05 -3.67 -0.26 0.00 1.01 0.00 0.00 58.87 56.00 2d8i n SER 89 Cb 0.35 -0.84 -0.12 0.00 -1.01 0.00 0.00 64.21 62.58 2d8i n SER 89 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2d8i s GLN 90 N -3.41 1.39 0.27 1.43 -0.21 -1.18 -5.02 119.66 112.92 2d8i s GLN 90 Ca 0.57 -1.41 0.05 0.00 0.02 0.00 0.00 55.36 54.60 2d8i s GLN 90 Cb 0.48 -1.72 0.37 0.00 1.00 0.00 0.00 33.01 33.14 2d8i s GLN 90 CO 0.07 0.38 1.65 -1.00 -2.12 0.00 0.00 175.29 174.28 2d8i h PRO 91 N 3.53 0.28 -5.51 2.91 0.13 -1.92 -3.44 132.00 127.98 2d8i h PRO 91 Ca -0.47 -0.15 -0.54 0.00 -0.87 0.00 0.00 66.00 63.97 2d8i h PRO 91 Cb 1.19 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 32.03 2d8i h PRO 91 CO 0.45 0.69 -0.83 -1.54 -0.23 0.00 0.00 178.00 176.53 2d8i s SER 92 N -6.88 2.00 0.01 1.44 1.04 -1.26 -1.33 113.70 108.73 2d8i s SER 92 Ca -0.05 -0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.09 2d8i s SER 92 Cb 0.13 -0.31 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 2d8i s SER 92 CO 0.79 0.19 -0.06 -0.76 0.98 0.00 0.00 173.24 174.37 2d8i s LEU 93 N -0.28 2.10 -0.28 2.42 1.43 -0.31 -4.99 118.68 118.76 2d8i s LEU 93 Ca 0.04 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 2d8i s LEU 93 Cb -0.08 -0.25 0.08 0.00 0.03 0.00 0.00 46.19 45.97 2d8i s LEU 93 CO 0.00 -0.03 -0.01 -0.83 0.23 0.00 0.00 176.35 175.71 2d8i s GLY 94 N -0.64 1.56 0.20 -3.19 0.00 -1.26 -0.71 107.32 103.27 2d8i s GLY 94 Ca -0.02 -1.88 0.05 0.00 0.00 0.00 0.00 44.72 42.87 2d8i s GLY 94 CO 0.00 0.95 0.23 1.08 0.00 0.00 0.00 173.10 175.36 2d8i s LEU 95 N 1.20 4.03 -0.33 0.66 1.43 -1.08 -0.90 118.68 123.69 2d8i s LEU 95 Ca 0.01 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 2d8i s LEU 95 Cb -0.19 -2.60 0.10 0.00 0.03 0.00 0.00 46.19 43.54 2d8i s LEU 95 CO -0.09 0.01 0.10 -0.22 0.23 0.00 0.00 176.35 176.38 2d8i s LEU 96 N -3.50 2.77 0.28 1.79 2.96 -0.81 -2.48 118.68 119.68 2d8i s LEU 96 Ca 0.33 -1.84 0.07 0.00 -0.22 0.00 0.00 54.13 52.47 2d8i s LEU 96 Cb -0.09 -1.03 -0.03 0.00 0.50 0.00 0.00 46.19 45.53 2d8i s LEU 96 CO 0.26 -0.39 0.22 0.68 -1.32 0.00 0.00 176.35 175.80 2d8i s VAL 97 N 1.35 4.18 0.18 1.68 -7.23 -1.16 -2.12 120.40 117.29 2d8i s VAL 97 Ca 0.11 -1.40 0.05 0.00 -1.81 0.00 0.00 61.98 58.93 2d8i s VAL 97 Cb -0.18 -3.34 -0.04 0.00 0.56 0.00 0.00 36.38 33.39 2d8i s VAL 97 CO -0.19 -0.30 0.18 -0.60 -0.31 0.00 0.00 175.10 173.88 2d8i s ARG 98 N -3.88 3.02 0.27 4.82 3.52 -1.26 -1.49 118.95 123.94 2d8i s ARG 98 Ca 0.35 -0.86 -0.11 0.00 -0.13 0.00 0.00 55.73 54.98 2d8i s ARG 98 Cb -0.07 -2.69 0.00 0.00 -1.56 0.00 0.00 34.95 30.62 2d8i s ARG 98 CO 0.25 0.47 0.49 -0.08 -0.81 0.00 0.00 175.30 175.63 2d8i s THR 99 N -1.83 0.00 -0.04 4.11 -1.32 0.55 -4.92 115.64 112.18 2d8i s THR 99 Ca 0.32 -1.42 0.01 0.00 -1.21 0.00 0.00 61.69 59.39 2d8i s THR 99 Cb -0.10 -2.33 -0.03 0.00 -1.51 0.00 0.00 72.50 68.53 2d8i s THR 99 CO 0.25 0.00 -0.05 -0.31 -2.21 0.00 0.00 174.62 172.29 2d8i s TYR 100 N -3.75 2.96 0.66 9.09 1.51 -1.26 -0.19 117.35 126.37 2d8i s TYR 100 Ca 0.24 0.03 -0.15 0.00 -1.01 0.00 0.00 57.07 56.18 2d8i s TYR 100 Cb -0.01 -1.68 0.00 0.00 -0.11 0.00 0.00 41.96 40.16 2d8i s TYR 100 CO 0.11 0.37 1.11 -1.25 -1.11 0.00 0.00 175.55 174.78 2d8i s PRO 101 N -1.08 2.78 0.03 -1.71 0.04 -1.26 -4.91 135.00 128.89 2d8i s PRO 101 Ca 0.15 1.38 -0.27 0.00 0.04 0.00 0.00 61.00 62.30 2d8i s PRO 101 Cb -0.11 -1.95 0.08 0.00 0.04 0.00 0.00 34.50 32.56 2d8i s PRO 101 CO 0.04 -1.26 0.73 -2.00 0.04 0.00 0.00 177.00 174.55 2d8i s GLU 102 N -4.12 1.03 -0.88 4.56 2.56 -1.26 -5.04 118.70 115.55 2d8i s GLU 102 Ca 0.67 -0.16 -0.07 0.00 0.00 0.00 0.00 54.97 55.41 2d8i s GLU 102 Cb -0.20 0.48 -0.11 0.00 2.00 0.00 0.00 34.13 36.29 2d8i s GLU 102 CO 0.42 -0.41 2.64 -0.11 -0.56 0.00 0.00 175.26 177.25 2d8i n LEU 103 N 0.14 5.96 -0.13 2.70 0.00 -1.26 -4.03 117.00 120.38 2d8i n LEU 103 Ca -0.15 -3.29 0.07 0.00 0.00 0.00 0.00 56.01 52.64 2d8i n LEU 103 Cb 0.61 -1.25 0.10 0.00 0.00 0.00 0.00 43.42 42.88 2d8i n LEU 103 CO 0.15 1.29 0.51 -1.84 0.00 0.00 0.00 177.39 177.50 2d8i n GLU 104 N 3.51 1.19 -2.90 1.96 0.28 -1.26 -5.05 120.64 118.37 2d8i n GLU 104 Ca 0.53 -2.20 -0.40 0.00 -0.16 0.00 0.00 57.16 54.92 2d8i n GLU 104 Cb 0.34 -1.28 -0.05 0.00 1.43 0.00 0.00 31.44 31.88 2d8i n GLU 104 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2d8i s GLU 105 N -2.21 4.61 0.00 3.44 2.02 -1.26 -4.76 118.70 120.54 2d8i s GLU 105 Ca 0.24 1.23 0.00 0.00 0.02 0.00 0.00 54.97 56.45 2d8i s GLU 105 Cb 0.21 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 31.12 2d8i s GLU 105 CO 0.02 0.40 0.00 0.41 0.02 0.00 0.00 175.26 176.11 2d8i n GLY 106 N 1.97 -2.10 3.21 -1.39 0.00 -1.26 -5.14 105.19 100.48 2d8i n GLY 106 Ca -0.03 0.69 -0.28 0.00 0.00 0.00 0.00 46.02 46.41 2d8i n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d8i s VAL 107 N 0.00 1.69 0.16 1.61 0.11 -1.26 -5.14 120.40 117.58 2d8i s VAL 107 Ca 0.00 -0.88 -0.03 0.00 -2.93 0.00 0.00 61.98 58.13 2d8i s VAL 107 Cb 0.00 -1.43 -0.05 0.00 -1.53 0.00 0.00 36.38 33.37 2d8i s VAL 107 CO 0.00 0.48 0.38 -1.83 -3.33 0.00 0.00 175.10 170.80 2d8i s GLU 108 N -0.20 3.58 0.06 1.54 4.04 -1.26 -5.08 118.70 121.37 2d8i s GLU 108 Ca 0.00 -0.18 -0.21 0.00 0.04 0.00 0.00 54.97 54.63 2d8i s GLU 108 Cb -0.11 -2.85 -0.06 0.00 0.02 0.00 0.00 34.13 31.13 2d8i s GLU 108 CO 0.02 0.44 0.61 0.45 -1.84 0.00 0.00 175.26 174.94 2d8i s SER 109 N -2.69 7.08 0.00 0.83 0.15 -1.26 -4.99 113.70 112.83 2d8i s SER 109 Ca 0.40 1.29 0.00 0.00 0.70 0.00 0.00 55.95 58.34 2d8i s SER 109 Cb -0.12 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2d8i s SER 109 CO 0.26 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.51 2d8i n GLY 110 N 1.97 -0.08 0.13 9.45 0.00 -1.26 -4.96 105.19 110.45 2d8i n GLY 110 Ca -0.08 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 2d8i n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8i h PRO 111 N 4.58 0.36 -5.22 1.61 0.13 -2.08 -3.42 132.00 127.96 2d8i h PRO 111 Ca 0.00 -0.19 -0.34 0.00 -0.87 0.00 0.00 66.00 64.60 2d8i h PRO 111 Cb 0.00 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2d8i h PRO 111 CO 0.00 0.74 1.41 0.43 -0.23 0.00 0.00 178.00 180.35 2d8i n SER 112 N -4.56 0.64 -3.37 1.44 7.64 -1.26 -4.82 113.62 109.33 2d8i n SER 112 Ca -0.06 -0.55 -0.10 0.00 1.01 0.00 0.00 58.87 59.16 2d8i n SER 112 Cb 0.36 -1.14 -0.09 0.00 -1.01 0.00 0.00 64.21 62.33 2d8i n SER 112 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d8i s SER 113 N 7.84 0.40 0.00 6.43 1.04 -1.26 -5.00 113.70 123.14 2d8i s SER 113 Ca 1.16 0.17 0.00 0.00 0.48 0.00 0.00 55.95 57.76 2d8i s SER 113 Cb -0.64 1.01 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2d8i s SER 113 CO 0.37 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.89