#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ji8 s PRO 2 N 0.00 2.81 -0.14 0.03 0.04 -1.26 -4.68 135.00 131.79 1ji8 s PRO 2 Ca 0.00 -1.27 -0.29 0.00 0.04 0.00 0.00 61.00 59.48 1ji8 s PRO 2 Cb 0.00 -5.29 -0.04 0.00 0.04 0.00 0.00 34.50 29.21 1ji8 s PRO 2 CO 0.00 -3.58 1.68 0.08 0.04 0.00 0.00 177.00 175.22 1ji8 s VAL 3 N 9.53 3.59 0.43 -0.36 1.01 -1.26 -4.95 120.40 128.38 1ji8 s VAL 3 Ca 0.65 0.68 -0.25 0.00 0.00 0.00 0.00 61.98 63.06 1ji8 s VAL 3 Cb -0.00 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.76 1ji8 s VAL 3 CO 0.11 -0.17 1.32 -0.54 0.00 0.00 0.00 175.10 175.82 1ji8 s LYS 4 N 4.51 3.84 0.02 2.72 -0.14 -1.26 -4.95 119.74 124.48 1ji8 s LYS 4 Ca 0.75 2.19 0.01 0.00 -1.36 0.00 0.00 55.97 57.55 1ji8 s LYS 4 Cb -0.29 -2.68 -0.02 0.00 -1.68 0.00 0.00 37.83 33.16 1ji8 s LYS 4 CO 0.30 -0.61 -0.04 0.00 -0.76 0.00 0.00 175.35 174.24 1ji8 s PRO 6 N -1.41 2.25 -0.15 0.00 0.04 -1.25 -4.88 135.00 129.59 1ji8 s PRO 6 Ca -0.13 0.60 -0.32 0.00 0.04 0.00 0.00 61.00 61.19 1ji8 s PRO 6 Cb -0.09 -1.94 0.13 0.00 0.04 0.00 0.00 34.50 32.64 1ji8 s PRO 6 CO -0.01 -1.50 1.11 0.20 0.04 0.00 0.00 177.00 176.85 1ji8 s GLY 7 N -4.00 -0.28 0.16 0.56 0.00 -0.72 -5.00 107.32 98.04 1ji8 s GLY 7 Ca 0.60 1.71 0.01 0.00 0.00 0.00 0.00 44.72 47.05 1ji8 s GLY 7 CO 0.54 0.66 0.31 -0.54 0.00 0.00 0.00 173.10 174.07 1ji8 s GLU 8 N -2.13 3.46 -0.03 2.90 2.02 -1.26 -1.32 118.70 122.34 1ji8 s GLU 8 Ca 0.06 -0.51 -0.11 0.00 0.02 0.00 0.00 54.97 54.43 1ji8 s GLU 8 Cb -0.01 -2.93 0.02 0.00 0.10 0.00 0.00 34.13 31.31 1ji8 s GLU 8 CO -0.05 0.49 0.25 0.71 0.02 0.00 0.00 175.26 176.68 1ji8 s TYR 9 N -1.77 -0.15 -0.29 1.61 2.02 -0.74 -4.97 117.35 113.07 1ji8 s TYR 9 Ca 0.36 0.28 -0.09 0.00 -0.37 0.00 0.00 57.07 57.24 1ji8 s TYR 9 Cb -0.11 0.06 -0.02 0.00 -0.40 0.00 0.00 41.96 41.49 1ji8 s TYR 9 CO 0.29 -0.29 0.13 -0.65 -1.57 0.00 0.00 175.55 173.46 1ji8 s GLN 10 N -0.94 3.52 -0.39 -0.62 -0.21 -1.26 -1.75 119.66 118.01 1ji8 s GLN 10 Ca -0.10 -0.59 -0.04 0.00 0.02 0.00 0.00 55.36 54.65 1ji8 s GLN 10 Cb -0.05 -3.50 0.09 0.00 1.00 0.00 0.00 33.01 30.55 1ji8 s GLN 10 CO 0.02 -0.31 0.18 0.08 -2.12 0.00 0.00 175.29 173.14 1ji8 s VAL 11 N 1.63 3.42 0.00 1.09 1.01 -0.83 -4.98 120.40 121.75 1ji8 s VAL 11 Ca 0.05 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.24 1ji8 s VAL 11 Cb -0.16 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1ji8 s VAL 11 CO 0.06 -0.54 0.00 0.47 0.00 0.00 0.00 175.10 175.09 1ji8 n ASP 12 N 4.67 0.00 -2.58 3.32 9.92 -1.26 -1.70 116.55 128.92 1ji8 n ASP 12 Ca -0.06 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 53.96 1ji8 n ASP 12 Cb 0.42 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 1ji8 n ASP 12 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ji8 n GLY 13 N 0.00 5.16 3.40 0.44 0.00 -1.26 -5.03 105.19 107.90 1ji8 n GLY 13 Ca 0.00 -2.50 -0.14 0.00 0.00 0.00 0.00 46.02 43.38 1ji8 n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ji8 s LYS 14 N -3.44 0.69 -0.24 1.61 2.20 -0.69 -5.14 119.74 114.73 1ji8 s LYS 14 Ca 0.44 0.46 -0.12 0.00 -0.36 0.00 0.00 55.97 56.40 1ji8 s LYS 14 Cb 0.40 0.33 -0.05 0.00 -1.51 0.00 0.00 37.83 37.00 1ji8 s LYS 14 CO -0.14 -0.13 0.21 0.21 -0.36 0.00 0.00 175.35 175.14 1ji8 s LYS 15 N -0.27 4.06 -0.06 4.03 2.47 -1.26 -1.96 119.74 126.75 1ji8 s LYS 15 Ca -0.04 -0.19 0.01 0.00 -1.56 0.00 0.00 55.97 54.19 1ji8 s LYS 15 Cb -0.03 -3.57 -0.03 0.00 -1.46 0.00 0.00 37.83 32.74 1ji8 s LYS 15 CO 0.03 -0.02 -0.06 0.08 0.16 0.00 0.00 175.35 175.54 1ji8 s VAL 16 N 1.28 3.78 -0.32 4.02 1.01 -0.72 -5.01 120.40 124.45 1ji8 s VAL 16 Ca 0.10 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1ji8 s VAL 16 Cb -0.14 -2.57 0.10 0.00 0.00 0.00 0.00 36.38 33.77 1ji8 s VAL 16 CO 0.06 0.57 0.06 -0.63 0.00 0.00 0.00 175.10 175.17 1ji8 s ILE 17 N -0.85 1.73 -0.15 2.22 1.01 -1.26 -1.79 121.20 122.11 1ji8 s ILE 17 Ca 0.13 -1.94 -0.29 0.00 0.00 0.00 0.00 60.65 58.55 1ji8 s ILE 17 Cb -0.11 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 1ji8 s ILE 17 CO 0.02 -0.59 1.16 -0.76 0.00 0.00 0.00 174.94 174.77 1ji8 s LEU 18 N 1.19 4.19 0.00 2.97 1.43 -0.43 -3.15 118.68 124.87 1ji8 s LEU 18 Ca 0.09 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 1ji8 s LEU 18 Cb -0.18 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1ji8 s LEU 18 CO -0.14 -0.66 0.00 -0.67 0.23 0.00 0.00 176.35 175.11 1ji8 n ASP 19 N 6.05 0.00 -4.74 2.29 -0.08 -0.85 -1.76 116.55 117.46 1ji8 n ASP 19 Ca 0.12 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.99 1ji8 n ASP 19 Cb 0.46 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.89 1ji8 n ASP 19 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1ji8 s GLU 20 N 3.17 4.28 -1.05 -0.67 2.12 -1.26 -2.45 118.70 122.83 1ji8 s GLU 20 Ca 0.00 2.26 -0.03 0.00 0.36 0.00 0.00 54.97 57.56 1ji8 s GLU 20 Cb 0.00 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.25 1ji8 s GLU 20 CO 0.00 -0.43 0.38 -3.47 -0.54 0.00 0.00 175.26 171.19 1ji8 n ASP 21 N 2.84 -4.57 -4.30 -1.70 2.03 -1.26 -2.82 116.55 106.77 1ji8 n ASP 21 Ca 0.08 -0.18 -0.36 0.00 0.52 0.00 0.00 54.79 54.86 1ji8 n ASP 21 Cb 0.40 -3.46 -0.05 0.00 -0.72 0.00 0.00 41.12 37.29 1ji8 n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ji8 s PHE 23 N -3.51 3.66 -0.28 0.00 0.08 -1.13 -4.76 117.98 112.04 1ji8 s PHE 23 Ca 0.58 1.32 -0.29 0.00 0.12 0.00 0.00 56.93 58.66 1ji8 s PHE 23 Cb -0.32 -2.56 -0.02 0.00 -0.57 0.00 0.00 43.02 39.55 1ji8 s PHE 23 CO 0.96 0.38 1.65 1.41 -0.10 0.00 0.00 175.22 179.52 1ji8 s MET 24 N -1.89 3.61 -0.40 0.44 1.75 -1.26 -2.01 119.30 119.54 1ji8 s MET 24 Ca 0.41 1.49 0.05 0.00 -1.25 0.00 0.00 55.69 56.40 1ji8 s MET 24 Cb -0.17 -4.09 0.58 0.00 2.84 0.00 0.00 34.83 34.00 1ji8 s MET 24 CO 0.21 -1.52 1.72 1.04 -0.65 0.00 0.00 175.02 175.82 1ji8 n GLN 25 N 7.97 2.16 -2.91 4.11 1.13 -1.19 -4.63 117.38 124.01 1ji8 n GLN 25 Ca 0.20 -3.15 -0.13 0.00 -1.94 0.00 0.00 57.00 51.98 1ji8 n GLN 25 Cb 0.46 -2.05 0.02 0.00 0.11 0.00 0.00 30.24 28.78 1ji8 n GLN 25 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1ji8 n ASN 26 N -1.11 -1.48 0.10 1.08 5.15 -1.26 -4.92 115.26 112.83 1ji8 n ASN 26 Ca 0.49 -3.22 0.12 0.00 -0.60 0.00 0.00 54.58 51.36 1ji8 n ASN 26 Cb 1.32 0.92 0.46 0.00 -0.53 0.00 0.00 39.78 41.94 1ji8 n ASN 26 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1ji8 n PRO 27 N 1.05 0.19 -0.22 1.20 -0.04 -1.26 -3.33 135.00 132.58 1ji8 n PRO 27 Ca 0.13 0.32 0.21 0.00 -0.04 0.00 0.00 63.50 64.12 1ji8 n PRO 27 Cb 0.63 -1.80 0.56 0.00 -0.04 0.00 0.00 33.50 32.85 1ji8 n PRO 27 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ji8 h GLU 28 N 0.00 0.30 0.00 0.54 4.81 -1.95 -3.36 114.58 114.92 1ji8 h GLU 28 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1ji8 h GLU 28 Cb 0.47 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1ji8 h GLU 28 CO 0.00 0.20 0.00 -0.25 -0.73 0.00 0.00 179.01 178.23 1ji8 n ASP 29 N -4.46 0.00 -1.63 1.04 8.00 -1.21 -5.11 116.55 113.18 1ji8 n ASP 29 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1ji8 n ASP 29 Cb 0.74 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 1ji8 n ASP 29 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1ji8 n TRP 30 N -0.58 -4.34 -3.84 1.24 -0.00 -1.26 -5.07 117.44 103.60 1ji8 n TRP 30 Ca 0.00 2.34 -0.06 0.00 -0.00 0.00 0.00 57.50 59.77 1ji8 n TRP 30 Cb 0.00 -3.55 0.02 0.00 -0.00 0.00 0.00 31.31 27.78 1ji8 n TRP 30 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1ji8 s ASP 31 N -4.75 0.02 -0.01 5.87 2.15 -1.26 -5.01 116.67 113.68 1ji8 s ASP 31 Ca 0.00 -0.98 -0.23 0.00 0.43 0.00 0.00 52.55 51.77 1ji8 s ASP 31 Cb 0.00 0.71 -0.15 0.00 -0.30 0.00 0.00 42.92 43.18 1ji8 s ASP 31 CO 0.00 -1.42 1.08 -0.08 -0.17 0.00 0.00 175.17 174.58 1ji8 h GLU 32 N 2.00 -0.42 -0.73 4.34 4.81 -2.00 -2.26 114.58 120.33 1ji8 h GLU 32 Ca -0.31 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.01 1ji8 h GLU 32 Cb 1.24 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.67 1ji8 h GLU 32 CO 0.40 -0.09 0.48 -0.22 -0.73 0.00 0.00 179.01 178.85 1ji8 h LYS 33 N -0.87 0.75 0.66 1.92 3.64 -2.00 -2.33 116.57 118.35 1ji8 h LYS 33 Ca -0.04 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1ji8 h LYS 33 Cb 0.52 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1ji8 h LYS 33 CO 0.07 0.50 -0.32 0.28 -2.27 0.00 0.00 179.45 177.71 1ji8 h VAL 34 N 0.77 0.00 -0.80 2.00 2.07 -1.93 -2.09 116.25 116.27 1ji8 h VAL 34 Ca 0.31 -0.16 0.19 0.00 0.82 0.00 0.00 66.70 67.87 1ji8 h VAL 34 Cb 0.24 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.88 1ji8 h VAL 34 CO -0.10 0.00 0.16 0.00 0.02 0.00 0.00 177.57 177.64 1ji8 h ALA 35 N -1.43 1.04 -0.52 1.67 0.00 -1.26 0.95 119.26 119.72 1ji8 h ALA 35 Ca -0.09 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1ji8 h ALA 35 Cb 0.68 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1ji8 h ALA 35 CO 0.15 -0.41 0.29 1.49 0.00 0.00 0.00 179.25 180.77 1ji8 h GLU 36 N 0.20 0.55 0.08 0.00 4.81 -1.36 -2.13 114.58 116.73 1ji8 h GLU 36 Ca 0.47 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.68 1ji8 h GLU 36 Cb 0.87 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1ji8 h GLU 36 CO -0.61 0.37 -0.11 2.35 -0.73 0.00 0.00 179.01 180.27 1ji8 h TRP 37 N 0.57 -0.29 -0.94 0.92 7.01 -0.11 -1.59 115.95 121.52 1ji8 h TRP 37 Ca 0.22 0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.34 1ji8 h TRP 37 Cb 0.07 0.12 -0.08 0.00 -2.10 0.00 0.00 29.16 27.16 1ji8 h TRP 37 CO -0.08 -0.17 0.57 1.25 -2.79 0.00 0.00 178.44 177.22 1ji8 h LEU 38 N -0.23 0.82 -1.26 0.65 6.46 -1.12 0.12 115.31 120.76 1ji8 h LEU 38 Ca 0.02 0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 57.75 1ji8 h LEU 38 Cb 0.24 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 1ji8 h LEU 38 CO -0.06 0.43 -0.37 0.00 -0.62 0.00 0.00 178.44 177.82 1ji8 h ALA 39 N 1.52 1.38 -0.07 1.25 0.00 -0.87 -2.18 119.26 120.29 1ji8 h ALA 39 Ca 0.47 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1ji8 h ALA 39 Cb 0.49 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ji8 h ALA 39 CO -0.27 0.46 -0.38 -0.09 0.00 0.00 0.00 179.25 178.96 1ji8 h ARG 40 N 0.00 0.38 -0.23 0.00 1.12 -0.03 -0.16 114.38 115.47 1ji8 h ARG 40 Ca -0.00 -0.32 -0.09 0.00 -1.11 0.00 0.00 59.98 58.46 1ji8 h ARG 40 Cb 0.66 0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.67 1ji8 h ARG 40 CO 0.05 0.96 -0.23 0.93 -3.11 0.00 0.00 179.97 178.57 1ji8 h GLU 41 N -0.10 0.42 0.00 0.20 3.07 -1.26 -2.14 114.58 114.76 1ji8 h GLU 41 Ca -0.03 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1ji8 h GLU 41 Cb 1.04 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 1ji8 h GLU 41 CO 0.08 0.63 -0.03 1.25 -1.40 0.00 0.00 179.01 179.54 1ji8 h LEU 42 N 0.37 0.00 0.00 1.33 5.85 -1.42 -3.44 115.31 118.00 1ji8 h LEU 42 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1ji8 h LEU 42 Cb 0.62 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1ji8 h LEU 42 CO 0.04 0.11 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.90 1ji8 h GLU 43 N -0.19 0.00 0.00 1.25 4.39 -1.20 -3.49 114.58 115.34 1ji8 h GLU 43 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ji8 h GLU 43 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1ji8 h GLU 43 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1ji8 n GLY 44 N 1.86 0.25 3.64 -3.84 0.00 -0.57 -4.97 105.19 101.56 1ji8 n GLY 44 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.49 1ji8 n GLY 44 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ji8 n ILE 45 N 0.00 0.39 0.08 -0.61 5.41 -1.25 -4.81 119.36 118.57 1ji8 n ILE 45 Ca 0.00 -0.12 -0.08 0.00 1.00 0.00 0.00 62.75 63.55 1ji8 n ILE 45 Cb 0.00 -1.57 0.03 0.00 -0.71 0.00 0.00 39.64 37.39 1ji8 n ILE 45 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1ji8 h GLN 46 N 9.14 0.24 -4.31 0.38 1.08 -1.94 -3.35 115.11 116.35 1ji8 h GLN 46 Ca -0.43 -0.23 -0.29 0.00 -1.45 0.00 0.00 58.65 56.26 1ji8 h GLN 46 Cb 1.30 0.06 -0.25 0.00 -0.05 0.00 0.00 27.48 28.53 1ji8 h GLN 46 CO 0.97 0.91 -0.74 0.15 -0.95 0.00 0.00 178.83 179.17 1ji8 s LYS 47 N -3.40 0.40 -0.06 1.46 -0.14 -1.26 -5.03 119.74 111.71 1ji8 s LYS 47 Ca -0.04 -0.39 -0.24 0.00 -1.36 0.00 0.00 55.97 53.94 1ji8 s LYS 47 Cb 0.11 -0.28 -0.04 0.00 -1.68 0.00 0.00 37.83 35.94 1ji8 s LYS 47 CO 0.82 0.07 0.73 -1.64 -0.76 0.00 0.00 175.35 174.57 1ji8 s MET 48 N -0.71 4.44 0.95 1.68 -1.94 -1.26 -5.05 119.30 117.42 1ji8 s MET 48 Ca -0.04 0.93 -0.13 0.00 -1.71 0.00 0.00 55.69 54.75 1ji8 s MET 48 Cb -0.05 -3.45 0.16 0.00 2.01 0.00 0.00 34.83 33.50 1ji8 s MET 48 CO -0.00 0.04 1.13 -0.08 -0.01 0.00 0.00 175.02 176.10 1ji8 s THR 49 N 0.86 1.98 0.28 2.05 -1.32 -1.26 -4.90 115.64 113.32 1ji8 s THR 49 Ca 0.39 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 61.15 1ji8 s THR 49 Cb -0.18 -2.68 0.29 0.00 -1.51 0.00 0.00 72.50 68.42 1ji8 s THR 49 CO 0.19 0.00 1.98 -0.33 -2.21 0.00 0.00 174.62 174.25 1ji8 h GLU 50 N -1.67 0.00 -0.09 7.08 5.08 -2.00 -2.90 114.58 120.08 1ji8 h GLU 50 Ca -0.51 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.61 1ji8 h GLU 50 Cb 1.33 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.59 1ji8 h GLU 50 CO 0.58 0.14 -0.89 0.93 -1.00 0.00 0.00 179.01 178.77 1ji8 h GLU 51 N 0.00 0.76 0.97 2.33 5.08 -1.99 -2.49 114.58 119.24 1ji8 h GLU 51 Ca -0.00 -0.70 -0.05 0.00 -1.00 0.00 0.00 59.36 57.61 1ji8 h GLU 51 Cb 0.50 0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.93 1ji8 h GLU 51 CO 0.02 1.29 -0.47 0.45 -1.00 0.00 0.00 179.01 179.29 1ji8 h HIS 52 N 0.48 -1.23 -0.15 4.33 3.86 -1.87 -1.84 115.15 118.72 1ji8 h HIS 52 Ca -0.09 -0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.13 1ji8 h HIS 52 Cb 1.53 0.41 -0.01 0.00 1.06 0.00 0.00 27.41 30.40 1ji8 h HIS 52 CO 0.09 -0.76 0.11 -1.49 0.86 0.00 0.00 177.93 176.74 1ji8 h TRP 53 N -1.31 0.03 0.36 2.45 -0.00 -1.66 -1.39 115.95 114.43 1ji8 h TRP 53 Ca -0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.74 1ji8 h TRP 53 Cb 1.01 -0.01 0.00 0.00 -0.00 0.00 0.00 29.16 30.16 1ji8 h TRP 53 CO -0.01 0.02 -0.17 0.87 -0.00 0.00 0.00 178.44 179.14 1ji8 h LYS 54 N 0.03 -0.47 -0.27 0.49 1.57 -1.02 -1.97 116.57 114.94 1ji8 h LYS 54 Ca 0.07 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.96 1ji8 h LYS 54 Cb 0.25 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1ji8 h LYS 54 CO -0.00 -0.31 0.21 1.25 -0.57 0.00 0.00 179.45 180.02 1ji8 h LEU 55 N -0.57 0.00 -0.67 2.94 5.85 -1.23 -1.01 115.31 120.61 1ji8 h LEU 55 Ca -0.05 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 1ji8 h LEU 55 Cb 0.37 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1ji8 h LEU 55 CO 0.08 0.00 0.07 0.58 -0.34 0.00 0.00 178.44 178.83 1ji8 h VAL 56 N 0.00 1.26 0.01 1.05 2.07 -1.12 -2.31 116.25 117.21 1ji8 h VAL 56 Ca 0.13 -1.08 -0.19 0.00 0.82 0.00 0.00 66.70 66.37 1ji8 h VAL 56 Cb 0.54 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1ji8 h VAL 56 CO -0.00 0.40 -0.88 0.11 0.02 0.00 0.00 177.57 177.22 1ji8 h LYS 57 N 1.01 0.10 -0.05 1.57 1.79 -0.42 -3.10 116.57 117.48 1ji8 h LYS 57 Ca 0.19 -0.12 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1ji8 h LYS 57 Cb 0.49 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1ji8 h LYS 57 CO 0.02 0.91 0.01 -0.92 -1.08 0.00 0.00 179.45 178.40 1ji8 h TYR 58 N 0.05 0.08 -0.13 -1.35 3.20 -1.15 -2.71 116.97 114.96 1ji8 h TYR 58 Ca -0.03 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1ji8 h TYR 58 Cb 1.53 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.77 1ji8 h TYR 58 CO 0.02 0.27 0.03 -0.07 -1.64 0.00 0.00 178.16 176.77 1ji8 h LEU 59 N -0.14 0.15 -2.17 2.82 3.38 -1.49 -1.36 115.31 116.50 1ji8 h LEU 59 Ca 0.02 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1ji8 h LEU 59 Cb 0.23 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1ji8 h LEU 59 CO 0.00 0.16 0.13 -0.09 0.09 0.00 0.00 178.44 178.74 1ji8 h ARG 60 N 0.18 0.00 -0.34 1.13 2.43 -1.39 -1.84 114.38 114.54 1ji8 h ARG 60 Ca 0.05 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1ji8 h ARG 60 Cb 0.07 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1ji8 h ARG 60 CO -0.00 0.00 0.14 0.93 -1.51 0.00 0.00 179.97 179.53 1ji8 h GLU 61 N 0.00 0.51 0.00 0.20 5.08 -1.24 -1.85 114.58 117.28 1ji8 h GLU 61 Ca 0.07 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 1ji8 h GLU 61 Cb 0.34 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1ji8 h GLU 61 CO -0.00 0.49 -0.72 -0.92 -1.00 0.00 0.00 179.01 176.86 1ji8 h TYR 62 N 0.41 0.00 -0.36 4.33 5.03 -1.49 -3.23 116.97 121.67 1ji8 h TYR 62 Ca 0.12 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.37 1ji8 h TYR 62 Cb 0.17 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.43 1ji8 h TYR 62 CO -0.01 0.72 0.01 2.35 -1.32 0.00 0.00 178.16 179.91 1ji8 h TRP 63 N 0.00 0.68 -0.65 -3.82 7.01 -1.14 -2.35 115.95 115.68 1ji8 h TRP 63 Ca -0.01 -0.11 0.05 0.00 2.11 0.00 0.00 58.89 60.93 1ji8 h TRP 63 Cb 1.28 -0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 28.11 1ji8 h TRP 63 CO 0.00 0.72 0.37 1.49 -2.79 0.00 0.00 178.44 178.23 1ji8 h GLU 64 N 0.44 0.67 0.18 2.65 4.57 -1.36 0.39 114.58 122.12 1ji8 h GLU 64 Ca 0.10 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1ji8 h GLU 64 Cb 0.44 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1ji8 h GLU 64 CO 0.02 0.44 -0.09 1.15 -1.18 0.00 0.00 179.01 179.35 1ji8 h THR 65 N 0.69 0.00 0.00 0.32 2.02 -1.55 -3.41 112.91 110.98 1ji8 h THR 65 Ca 0.29 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.42 1ji8 h THR 65 Cb 0.15 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 1ji8 h THR 65 CO -0.17 0.00 -0.37 0.49 0.37 0.00 0.00 175.52 175.84 1ji8 n PHE 66 N -2.78 0.56 0.00 3.16 3.72 -0.90 -5.05 117.46 116.17 1ji8 n PHE 66 Ca -0.03 0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 1ji8 n PHE 66 Cb 0.10 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 38.07 1ji8 n PHE 66 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ji8 n GLY 67 N 1.64 0.96 0.00 1.37 0.00 0.13 -5.00 105.19 104.30 1ji8 n GLY 67 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ji8 n GLY 67 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ji8 n THR 68 N 0.00 0.00 -3.57 2.61 -2.24 -1.26 -4.55 114.28 105.27 1ji8 n THR 68 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1ji8 n THR 68 Cb 0.00 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.08 1ji8 n THR 68 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ji8 s PRO 70 N 2.07 0.55 0.00 0.00 0.04 -1.26 -5.05 135.00 131.35 1ji8 s PRO 70 Ca 0.08 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.29 1ji8 s PRO 70 Cb -0.16 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1ji8 s PRO 70 CO -0.31 -2.58 0.00 -0.35 0.04 0.00 0.00 177.00 173.80 1ji8 n PRO 71 N -4.01 0.13 -2.12 0.56 -0.04 -1.26 -4.92 135.00 123.35 1ji8 n PRO 71 Ca 0.08 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.27 1ji8 n PRO 71 Cb 0.59 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.07 1ji8 n PRO 71 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1ji8 n ILE 72 N -1.37 2.68 -0.02 0.52 3.06 -1.26 -4.80 119.36 118.17 1ji8 n ILE 72 Ca 0.00 -4.37 -0.02 0.00 -2.50 0.00 0.00 62.75 55.86 1ji8 n ILE 72 Cb 0.00 -1.20 -0.01 0.00 0.54 0.00 0.00 39.64 38.97 1ji8 n ILE 72 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1ji8 n LYS 73 N -0.63 0.15 0.16 9.51 5.02 -1.26 -3.93 118.16 127.19 1ji8 n LYS 73 Ca 0.45 0.26 0.11 0.00 -2.02 0.00 0.00 58.31 57.11 1ji8 n LYS 73 Cb 0.75 -0.98 0.59 0.00 -0.02 0.00 0.00 35.03 35.37 1ji8 n LYS 73 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1ji8 n MET 74 N -3.04 0.14 0.11 1.97 2.81 -1.26 -2.40 117.12 115.44 1ji8 n MET 74 Ca -0.03 0.64 -0.08 0.00 -1.81 0.00 0.00 57.70 56.42 1ji8 n MET 74 Cb 0.11 -1.96 -0.05 0.00 -0.71 0.00 0.00 33.22 30.61 1ji8 n MET 74 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1ji8 h VAL 75 N 0.00 0.28 0.00 2.03 2.07 -1.87 -3.17 116.25 115.58 1ji8 h VAL 75 Ca 0.00 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1ji8 h VAL 75 Cb 0.00 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1ji8 h VAL 75 CO 0.00 0.07 -0.11 0.74 0.02 0.00 0.00 177.57 178.29 1ji8 h THR 76 N -1.04 0.90 0.00 2.57 2.02 -1.62 0.14 112.91 115.88 1ji8 h THR 76 Ca -0.04 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1ji8 h THR 76 Cb 0.40 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1ji8 h THR 76 CO 0.06 0.11 -0.09 0.50 0.37 0.00 0.00 175.52 176.47 1ji8 h LYS 77 N 0.00 0.00 0.00 6.66 1.63 -1.51 -0.53 116.57 122.82 1ji8 h LYS 77 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ji8 h LYS 77 Cb 0.22 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1ji8 h LYS 77 CO 0.01 0.09 -0.32 0.39 -3.45 0.00 0.00 179.45 176.17 1ji8 n GLU 78 N -4.16 0.17 -0.13 1.90 1.02 -0.62 -4.63 120.64 114.18 1ji8 n GLU 78 Ca -0.03 0.07 0.09 0.00 -0.02 0.00 0.00 57.16 57.27 1ji8 n GLU 78 Cb 0.17 -0.71 0.42 0.00 -0.02 0.00 0.00 31.44 31.30 1ji8 n GLU 78 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1ji8 h THR 79 N -0.32 0.96 -3.11 2.62 1.35 -1.15 -3.46 112.91 109.79 1ji8 h THR 79 Ca 0.00 -0.20 -0.21 0.00 -0.55 0.00 0.00 66.41 65.44 1ji8 h THR 79 Cb 0.32 0.32 0.05 0.00 -1.73 0.00 0.00 68.15 67.11 1ji8 h THR 79 CO 0.00 0.11 -0.34 0.61 -0.25 0.00 0.00 175.52 175.64 1ji8 n GLY 80 N -1.48 0.10 3.68 5.82 0.00 -0.21 -4.95 105.19 108.15 1ji8 n GLY 80 Ca 0.10 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1ji8 n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ji8 s PHE 81 N -3.03 3.01 0.26 1.61 0.08 -1.26 -4.96 117.98 113.69 1ji8 s PHE 81 Ca 0.24 1.09 -0.30 0.00 0.12 0.00 0.00 56.93 58.08 1ji8 s PHE 81 Cb -0.11 -3.48 -0.14 0.00 -0.57 0.00 0.00 43.02 38.73 1ji8 s PHE 81 CO 0.30 -1.57 1.31 0.43 -0.10 0.00 0.00 175.22 175.59 1ji8 n SER 82 N 5.85 2.43 -0.07 1.36 7.64 -1.26 -4.85 113.62 124.72 1ji8 n SER 82 Ca 0.12 1.16 0.01 0.00 1.01 0.00 0.00 58.87 61.17 1ji8 n SER 82 Cb 0.45 -1.40 0.30 0.00 -1.01 0.00 0.00 64.21 62.56 1ji8 n SER 82 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1ji8 h LEU 83 N 3.56 0.62 -0.71 -3.43 -0.00 -2.01 -2.26 115.31 111.08 1ji8 h LEU 83 Ca -0.44 -0.07 -0.13 0.00 -0.00 0.00 0.00 57.88 57.25 1ji8 h LEU 83 Cb 1.29 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.78 1ji8 h LEU 83 CO 0.71 0.55 -0.36 -0.08 -0.00 0.00 0.00 178.44 179.26 1ji8 h GLU 84 N 0.68 0.59 0.21 1.13 4.57 -1.99 -1.88 114.58 117.89 1ji8 h GLU 84 Ca 0.17 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1ji8 h GLU 84 Cb 0.12 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1ji8 h GLU 84 CO -0.02 0.86 -0.17 -0.22 -1.18 0.00 0.00 179.01 178.29 1ji8 h LYS 85 N 0.50 -0.38 -0.55 1.92 1.63 -1.77 -1.68 116.57 116.24 1ji8 h LYS 85 Ca 0.05 0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.79 1ji8 h LYS 85 Cb 0.85 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.54 1ji8 h LYS 85 CO 0.07 -0.25 -0.01 0.82 -3.45 0.00 0.00 179.45 176.63 1ji8 h ILE 86 N -0.39 1.26 -0.86 2.00 2.04 -1.52 -2.12 117.51 117.93 1ji8 h ILE 86 Ca -0.01 -1.11 0.09 0.00 1.00 0.00 0.00 64.86 64.83 1ji8 h ILE 86 Cb 0.35 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 1ji8 h ILE 86 CO -0.01 0.40 0.56 1.88 0.00 0.00 0.00 178.15 180.97 1ji8 h TYR 87 N 0.88 0.90 -0.01 1.37 -1.99 -1.01 0.11 116.97 117.21 1ji8 h TYR 87 Ca 0.16 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.87 1ji8 h TYR 87 Cb 0.53 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 38.97 1ji8 h TYR 87 CO 0.03 0.42 -0.17 0.37 -0.00 0.00 0.00 178.16 178.81 1ji8 h GLN 88 N 0.84 0.13 0.00 4.88 4.15 -0.96 -2.67 115.11 121.48 1ji8 h GLN 88 Ca 0.39 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1ji8 h GLN 88 Cb 0.40 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1ji8 h GLN 88 CO -0.16 0.85 0.00 1.28 -1.93 0.00 0.00 178.83 178.87 1ji8 n LEU 89 N -4.58 0.23 -3.15 -2.39 4.77 -0.83 -4.45 117.00 106.60 1ji8 n LEU 89 Ca -0.09 0.58 0.05 0.00 -0.03 0.00 0.00 56.01 56.52 1ji8 n LEU 89 Cb 0.45 -0.57 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1ji8 n LEU 89 CO 0.38 -0.51 0.52 -0.36 -1.33 0.00 0.00 177.39 176.09 1ji8 s PHE 90 N -3.16 -0.60 0.15 -1.77 0.08 0.34 -5.02 117.98 108.00 1ji8 s PHE 90 Ca 0.03 0.48 0.20 0.00 0.12 0.00 0.00 56.93 57.76 1ji8 s PHE 90 Cb 0.06 0.15 0.71 0.00 -0.57 0.00 0.00 43.02 43.37 1ji8 s PHE 90 CO 0.20 -0.34 1.74 -1.00 -0.10 0.00 0.00 175.22 175.72 1ji8 h PRO 91 N 7.67 0.00 0.00 0.24 0.13 -1.69 -2.72 132.00 135.62 1ji8 h PRO 91 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1ji8 h PRO 91 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ji8 h PRO 91 CO -0.08 0.34 0.00 0.43 -0.23 0.00 0.00 178.00 178.47 1ji8 n SER 92 N -3.49 0.00 0.00 1.44 7.64 -1.26 -4.98 113.62 112.97 1ji8 n SER 92 Ca -0.00 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 59.04 1ji8 n SER 92 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1ji8 n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ji8 n GLY 93 N 0.58 -2.51 0.01 0.23 0.00 -1.02 -4.63 105.19 97.84 1ji8 n GLY 93 Ca 0.18 -1.30 0.09 0.00 0.00 0.00 0.00 46.02 45.00 1ji8 n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ji8 n PRO 94 N -1.17 0.02 0.00 1.61 -0.04 -1.26 -3.02 135.00 131.14 1ji8 n PRO 94 Ca 0.00 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1ji8 n PRO 94 Cb 0.00 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 1ji8 n PRO 94 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ji8 n ALA 95 N -1.52 0.00 0.35 0.55 0.00 -1.26 -0.44 120.51 118.19 1ji8 n ALA 95 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.62 1ji8 n ALA 95 Cb 0.23 0.06 0.38 0.00 0.00 0.00 0.00 19.45 20.12 1ji8 n ALA 95 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ji8 h HIS 96 N 0.00 0.00 0.05 0.00 3.86 -1.84 -3.19 115.15 114.04 1ji8 h HIS 96 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ji8 h HIS 96 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1ji8 h HIS 96 CO 0.00 0.00 -0.02 0.78 0.86 0.00 0.00 177.93 179.55 1ji8 h GLY 97 N 3.50 -0.07 -0.64 2.45 0.00 -1.55 -1.99 103.07 104.77 1ji8 h GLY 97 Ca 0.00 0.03 0.35 0.00 0.00 0.00 0.00 47.33 47.71 1ji8 h GLY 97 CO 0.00 -0.03 0.67 0.00 0.00 0.00 0.00 176.54 177.19 1ji8 h ALA 98 N -1.73 2.25 -0.22 3.60 0.00 -0.88 0.36 119.26 122.65 1ji8 h ALA 98 Ca -0.01 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1ji8 h ALA 98 Cb 0.05 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ji8 h ALA 98 CO 0.01 -0.84 -0.23 0.00 0.00 0.00 0.00 179.25 178.20 1ji8 h LYS 100 N 0.22 0.81 -0.14 0.00 1.57 0.50 -1.27 116.57 118.27 1ji8 h LYS 100 Ca 0.03 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.57 1ji8 h LYS 100 Cb 0.78 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1ji8 h LYS 100 CO 0.06 0.54 -0.70 0.28 -0.57 0.00 0.00 179.45 179.06 1ji8 h VAL 101 N 0.84 1.32 0.00 0.50 2.07 -1.33 -3.05 116.25 116.60 1ji8 h VAL 101 Ca 0.44 -1.98 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 1ji8 h VAL 101 Cb 0.44 1.96 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1ji8 h VAL 101 CO -0.27 0.61 -0.07 0.00 0.02 0.00 0.00 177.57 177.87 1ji8 h ALA 102 N 0.80 1.83 -0.33 1.67 0.00 -0.44 -3.46 119.26 119.33 1ji8 h ALA 102 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ji8 h ALA 102 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ji8 h ALA 102 CO 0.13 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1ji8 n GLY 103 N -1.31 0.50 2.69 0.00 0.00 -0.68 -5.04 105.19 101.35 1ji8 n GLY 103 Ca -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 1ji8 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ji8 s ALA 104 N -1.34 -4.41 0.00 4.61 0.00 -1.16 -4.86 121.76 114.60 1ji8 s ALA 104 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1ji8 s ALA 104 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1ji8 s ALA 104 CO 0.00 -2.51 0.00 -0.35 0.00 0.00 0.00 175.76 172.90 1ji8 n PRO 105 N 2.81 0.00 -4.18 0.00 -0.04 -1.26 -4.71 135.00 127.62 1ji8 n PRO 105 Ca 0.11 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.33 1ji8 n PRO 105 Cb 0.64 -0.18 -0.07 0.00 -0.04 0.00 0.00 33.50 33.85 1ji8 n PRO 105 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ji8 s LYS 106 N -0.01 2.29 0.00 0.54 1.02 -1.26 -4.69 119.74 117.63 1ji8 s LYS 106 Ca 0.00 -1.59 0.00 0.00 0.02 0.00 0.00 55.97 54.40 1ji8 s LYS 106 Cb 0.00 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 1ji8 s LYS 106 CO 0.00 0.14 0.00 -0.35 -0.92 0.00 0.00 175.35 174.22 1ji8 n PRO 107 N -1.07 -0.51 0.00 -1.68 -0.04 -1.26 -5.02 135.00 125.41 1ji8 n PRO 107 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1ji8 n PRO 107 Cb 0.61 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.07 1ji8 n PRO 107 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ji8 n THR 108 N -2.13 0.18 -1.80 0.52 5.66 -1.26 -5.07 114.28 110.39 1ji8 n THR 108 Ca 0.00 -0.21 -0.42 0.00 -3.05 0.00 0.00 64.05 60.37 1ji8 n THR 108 Cb 0.00 1.11 -0.03 0.00 -1.55 0.00 0.00 70.33 69.86 1ji8 n THR 108 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1ji8 s GLY 109 N -0.18 1.38 -0.04 1.09 0.00 -1.26 -4.88 107.32 103.43 1ji8 s GLY 109 Ca 0.00 1.52 -0.30 0.00 0.00 0.00 0.00 44.72 45.94 1ji8 s GLY 109 CO 0.00 2.78 1.87 0.00 0.00 0.00 0.00 173.10 177.75