#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 4.51 -1.10 0.03 0.04 -1.26 -4.95 135.00 132.27 1ji8 s PRO 2 Ca 0.00 1.84 -0.22 0.00 0.04 0.00 0.00 61.00 62.67 1ji8 s PRO 2 Cb 0.00 -3.25 0.06 0.00 0.04 0.00 0.00 34.50 31.35 1ji8 s PRO 2 CO 0.00 -0.06 1.53 0.08 0.04 0.00 0.00 177.00 178.59 1ji8 s VAL 3 N -0.05 3.98 -0.33 -0.36 1.01 -1.26 -4.94 120.40 118.45 1ji8 s VAL 3 Ca 0.52 -1.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 1ji8 s VAL 3 Cb -0.32 -5.10 0.05 0.00 0.00 0.00 0.00 36.38 31.01 1ji8 s VAL 3 CO 0.36 -1.96 0.08 -0.75 0.00 0.00 0.00 175.10 172.83 1ji8 s LYS 4 N 4.75 2.55 0.20 2.72 2.36 -1.26 -5.09 119.74 125.96 1ji8 s LYS 4 Ca 0.48 -1.23 0.05 0.00 -2.55 0.00 0.00 55.97 52.72 1ji8 s LYS 4 Cb 0.01 -3.39 -0.03 0.00 -1.05 0.00 0.00 37.83 33.36 1ji8 s LYS 4 CO -0.05 -0.67 0.26 0.00 1.55 0.00 0.00 175.35 176.44 1ji8 s PRO 6 N -3.54 4.07 -0.08 0.00 0.04 -1.20 -4.80 135.00 129.50 1ji8 s PRO 6 Ca 0.33 1.45 -0.31 0.00 0.04 0.00 0.00 61.00 62.51 1ji8 s PRO 6 Cb -0.10 -2.40 0.12 0.00 0.04 0.00 0.00 34.50 32.16 1ji8 s PRO 6 CO 0.27 -0.21 1.38 0.20 0.04 0.00 0.00 177.00 178.69 1ji8 s GLY 7 N -1.71 -0.34 0.03 0.56 0.00 -0.77 -4.96 107.32 100.12 1ji8 s GLY 7 Ca 0.60 0.53 0.07 0.00 0.00 0.00 0.00 44.72 45.92 1ji8 s GLY 7 CO 0.25 3.39 -0.19 1.85 0.00 0.00 0.00 173.10 178.39 1ji8 s GLU 8 N -2.05 2.07 0.16 2.90 2.12 -1.26 -1.68 118.70 120.96 1ji8 s GLU 8 Ca 0.23 -0.98 -0.06 0.00 0.36 0.00 0.00 54.97 54.52 1ji8 s GLU 8 Cb 0.04 -2.17 -0.02 0.00 0.26 0.00 0.00 34.13 32.24 1ji8 s GLU 8 CO -0.04 0.54 0.22 0.71 -0.54 0.00 0.00 175.26 176.15 1ji8 s TYR 9 N -0.88 0.59 -0.06 5.30 2.02 -0.91 -5.02 117.35 118.39 1ji8 s TYR 9 Ca 0.14 -0.94 0.04 0.00 -0.37 0.00 0.00 57.07 55.94 1ji8 s TYR 9 Cb -0.10 -0.20 -0.02 0.00 -0.40 0.00 0.00 41.96 41.23 1ji8 s TYR 9 CO 0.04 -0.67 -0.18 -1.14 -1.57 0.00 0.00 175.55 172.02 1ji8 s GLN 10 N -4.01 2.54 -0.10 -0.62 0.74 -1.26 -1.57 119.66 115.39 1ji8 s GLN 10 Ca 0.21 -0.78 -0.01 0.00 0.05 0.00 0.00 55.36 54.83 1ji8 s GLN 10 Cb 0.05 -2.31 0.03 0.00 1.10 0.00 0.00 33.01 31.88 1ji8 s GLN 10 CO 0.02 0.52 -0.01 0.08 -0.55 0.00 0.00 175.29 175.35 1ji8 s VAL 11 N -0.48 0.56 -1.38 1.34 1.01 -0.88 -4.85 120.40 115.74 1ji8 s VAL 11 Ca 0.06 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 1ji8 s VAL 11 Cb -0.12 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1ji8 s VAL 11 CO 0.01 0.22 0.42 -0.67 0.00 0.00 0.00 175.10 175.09 1ji8 n ASP 12 N 5.08 -1.14 -2.94 3.32 2.03 -1.26 -0.42 116.55 121.23 1ji8 n ASP 12 Ca -0.09 -1.08 -0.19 0.00 0.52 0.00 0.00 54.79 53.95 1ji8 n ASP 12 Cb 0.50 -2.72 0.06 0.00 -0.72 0.00 0.00 41.12 38.24 1ji8 n ASP 12 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ji8 n GLY 13 N -2.06 -0.25 3.35 0.27 0.00 -1.26 -5.01 105.19 100.23 1ji8 n GLY 13 Ca -0.27 0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 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 -6.01 1.40 -0.33 1.61 2.20 0.44 -5.12 119.74 113.93 1ji8 s LYS 14 Ca 0.45 -1.73 0.02 0.00 -0.36 0.00 0.00 55.97 54.35 1ji8 s LYS 14 Cb -0.20 -0.62 0.09 0.00 -1.51 0.00 0.00 37.83 35.59 1ji8 s LYS 14 CO 0.56 -0.14 0.04 0.15 -0.36 0.00 0.00 175.35 175.60 1ji8 s LYS 15 N -3.89 1.85 -0.18 4.03 1.02 -1.26 -2.07 119.74 119.23 1ji8 s LYS 15 Ca 0.31 -1.68 -0.11 0.00 0.02 0.00 0.00 55.97 54.51 1ji8 s LYS 15 Cb 0.06 -3.20 -0.05 0.00 -0.52 0.00 0.00 37.83 34.13 1ji8 s LYS 15 CO 0.11 -0.84 0.17 0.08 -0.92 0.00 0.00 175.35 173.94 1ji8 s VAL 16 N 1.03 5.39 -0.26 3.17 1.01 -0.61 -4.96 120.40 125.16 1ji8 s VAL 16 Ca 0.04 0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 1ji8 s VAL 16 Cb -0.20 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1ji8 s VAL 16 CO -0.06 0.44 0.00 -0.63 0.00 0.00 0.00 175.10 174.86 1ji8 s ILE 17 N 0.26 3.42 -0.37 2.22 1.09 -1.26 -2.13 121.20 124.43 1ji8 s ILE 17 Ca 0.11 -0.79 -0.16 0.00 -1.10 0.00 0.00 60.65 58.71 1ji8 s ILE 17 Cb -0.12 -2.72 -0.00 0.00 -1.06 0.00 0.00 42.46 38.57 1ji8 s ILE 17 CO 0.00 0.19 0.41 -0.76 -0.10 0.00 0.00 174.94 174.68 1ji8 s LEU 18 N 1.43 4.54 0.00 2.97 1.43 -0.68 -1.61 118.68 126.76 1ji8 s LEU 18 Ca 0.02 -0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 52.75 1ji8 s LEU 18 Cb -0.16 -2.40 0.09 0.00 0.03 0.00 0.00 46.19 43.75 1ji8 s LEU 18 CO -0.01 -0.43 0.20 -0.67 0.23 0.00 0.00 176.35 175.67 1ji8 n ASP 19 N 5.51 -2.49 0.28 2.29 2.03 -0.83 -1.85 116.55 121.50 1ji8 n ASP 19 Ca -0.08 -0.21 0.16 0.00 0.52 0.00 0.00 54.79 55.18 1ji8 n ASP 19 Cb 0.49 -0.24 0.84 0.00 -0.72 0.00 0.00 41.12 41.49 1ji8 n ASP 19 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1ji8 h GLU 20 N 0.00 0.00 -0.75 -0.67 5.08 -1.91 -2.37 114.58 113.97 1ji8 h GLU 20 Ca -0.09 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.80 1ji8 h GLU 20 Cb 0.31 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.29 1ji8 h GLU 20 CO 0.06 0.07 0.18 -0.25 -1.00 0.00 0.00 179.01 178.06 1ji8 n ASP 21 N -3.47 4.80 -3.90 1.42 9.92 -1.26 -4.05 116.55 120.01 1ji8 n ASP 21 Ca -0.02 -3.75 -0.29 0.00 -0.53 0.00 0.00 54.79 50.20 1ji8 n ASP 21 Cb 0.20 -0.71 0.02 0.00 -0.64 0.00 0.00 41.12 39.99 1ji8 n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ji8 s PHE 23 N -3.43 3.23 0.37 0.00 0.08 -1.26 -4.78 117.98 112.19 1ji8 s PHE 23 Ca 0.48 -1.52 -0.24 0.00 0.12 0.00 0.00 56.93 55.78 1ji8 s PHE 23 Cb -0.24 -2.20 -0.14 0.00 -0.57 0.00 0.00 43.02 39.87 1ji8 s PHE 23 CO 0.84 -0.73 0.54 -1.33 -0.10 0.00 0.00 175.22 174.44 1ji8 n MET 24 N 4.75 0.52 -0.12 0.44 2.81 -1.26 -1.97 117.12 122.28 1ji8 n MET 24 Ca -0.13 0.19 0.05 0.00 -1.81 0.00 0.00 57.70 55.99 1ji8 n MET 24 Cb 0.45 -1.42 0.10 0.00 -0.71 0.00 0.00 33.22 31.65 1ji8 n MET 24 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1ji8 n GLN 25 N 0.75 2.60 -3.05 0.03 7.27 -0.63 -4.72 117.38 119.64 1ji8 n GLN 25 Ca 0.12 -2.05 -0.15 0.00 0.07 0.00 0.00 57.00 54.99 1ji8 n GLN 25 Cb 0.37 -1.29 0.01 0.00 2.41 0.00 0.00 30.24 31.73 1ji8 n GLN 25 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1ji8 n ASN 26 N -0.43 -0.07 0.00 1.69 5.15 -1.26 -4.91 115.26 115.42 1ji8 n ASN 26 Ca 0.09 -3.20 0.09 0.00 -0.60 0.00 0.00 54.58 50.97 1ji8 n ASN 26 Cb 0.47 0.11 0.44 0.00 -0.53 0.00 0.00 39.78 40.27 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 0.29 0.12 0.24 1.20 -0.04 -1.26 -3.20 135.00 132.35 1ji8 n PRO 27 Ca 0.19 0.15 0.13 0.00 -0.04 0.00 0.00 63.50 63.93 1ji8 n PRO 27 Cb 0.68 -1.50 0.78 0.00 -0.04 0.00 0.00 33.50 33.42 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 0.00 0.00 0.54 4.81 -1.91 -3.31 114.58 114.71 1ji8 h GLU 28 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ji8 h GLU 28 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1ji8 h GLU 28 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.03 1ji8 n ASP 29 N -4.13 0.00 -1.34 1.04 9.92 -1.19 -5.08 116.55 115.77 1ji8 n ASP 29 Ca -0.01 0.10 0.15 0.00 -0.53 0.00 0.00 54.79 54.51 1ji8 n ASP 29 Cb 0.18 -0.28 -0.08 0.00 -0.64 0.00 0.00 41.12 40.30 1ji8 n ASP 29 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 1ji8 n TRP 30 N -1.81 -3.36 -3.85 1.24 -0.00 -1.25 -5.06 117.44 103.36 1ji8 n TRP 30 Ca 0.00 1.84 0.01 0.00 -0.00 0.00 0.00 57.50 59.34 1ji8 n TRP 30 Cb 0.00 -3.06 0.01 0.00 -0.00 0.00 0.00 31.31 28.26 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 -6.92 -0.02 -0.02 5.87 2.15 -1.26 -4.98 116.67 111.49 1ji8 s ASP 31 Ca 0.00 -0.30 -0.25 0.00 0.43 0.00 0.00 52.55 52.43 1ji8 s ASP 31 Cb 0.00 0.25 -0.19 0.00 -0.30 0.00 0.00 42.92 42.68 1ji8 s ASP 31 CO 0.00 -0.49 1.23 -0.08 -0.17 0.00 0.00 175.17 175.67 1ji8 h GLU 32 N 2.00 -0.09 -0.22 4.34 4.81 -2.00 -2.00 114.58 121.42 1ji8 h GLU 32 Ca -0.26 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.93 1ji8 h GLU 32 Cb 1.20 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1ji8 h GLU 32 CO 0.31 0.35 -0.08 -0.22 -0.73 0.00 0.00 179.01 178.64 1ji8 h LYS 33 N -0.55 0.35 0.39 1.92 1.63 -1.98 -2.42 116.57 115.90 1ji8 h LYS 33 Ca -0.01 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 1ji8 h LYS 33 Cb 0.48 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1ji8 h LYS 33 CO 0.01 0.44 -0.19 0.28 -3.45 0.00 0.00 179.45 176.55 1ji8 h VAL 34 N 0.33 0.53 -0.50 2.00 2.07 -1.93 0.11 116.25 118.87 1ji8 h VAL 34 Ca 0.07 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 67.14 1ji8 h VAL 34 Cb 0.36 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 1ji8 h VAL 34 CO 0.02 0.09 0.11 0.00 0.02 0.00 0.00 177.57 177.81 1ji8 h ALA 35 N -0.44 0.57 0.00 1.67 0.00 -1.29 0.31 119.26 120.08 1ji8 h ALA 35 Ca -0.05 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1ji8 h ALA 35 Cb 0.54 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1ji8 h ALA 35 CO 0.09 -0.29 -0.26 1.49 0.00 0.00 0.00 179.25 180.28 1ji8 h GLU 36 N 0.26 0.00 0.26 0.00 4.81 -1.44 -2.25 114.58 116.22 1ji8 h GLU 36 Ca 0.25 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1ji8 h GLU 36 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1ji8 h GLU 36 CO -0.31 0.26 -0.12 2.35 -0.73 0.00 0.00 179.01 180.45 1ji8 h TRP 37 N 0.00 -0.32 -0.57 0.92 7.01 0.11 -1.76 115.95 121.35 1ji8 h TRP 37 Ca -0.00 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 1ji8 h TRP 37 Cb 0.58 0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.72 1ji8 h TRP 37 CO 0.00 0.04 0.20 1.25 -2.79 0.00 0.00 178.44 177.14 1ji8 h LEU 38 N -0.78 0.77 -0.87 0.65 6.46 -1.31 -1.04 115.31 119.19 1ji8 h LEU 38 Ca -0.04 -0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 57.53 1ji8 h LEU 38 Cb 0.51 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.22 1ji8 h LEU 38 CO 0.06 0.71 -0.03 0.00 -0.62 0.00 0.00 178.44 178.56 1ji8 h ALA 39 N 1.40 1.05 0.00 1.25 0.00 -1.41 -1.64 119.26 119.91 1ji8 h ALA 39 Ca 0.19 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1ji8 h ALA 39 Cb 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ji8 h ALA 39 CO -0.01 0.59 -0.74 -0.09 0.00 0.00 0.00 179.25 178.99 1ji8 h ARG 40 N 0.75 0.00 0.00 0.00 2.43 -0.85 -0.62 114.38 116.08 1ji8 h ARG 40 Ca 0.14 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.17 1ji8 h ARG 40 Cb 0.50 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1ji8 h ARG 40 CO 0.03 0.74 -0.64 0.93 -1.51 0.00 0.00 179.97 179.51 1ji8 h GLU 41 N 0.00 0.00 0.00 0.20 4.39 -0.91 0.79 114.58 119.05 1ji8 h GLU 41 Ca -0.01 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1ji8 h GLU 41 Cb 1.42 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.07 1ji8 h GLU 41 CO 0.10 0.64 -1.72 1.28 -1.16 0.00 0.00 179.01 178.15 1ji8 n LEU 42 N -3.43 0.30 0.00 1.33 4.32 -0.64 -4.67 117.00 114.21 1ji8 n LEU 42 Ca 0.00 0.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 1ji8 n LEU 42 Cb 0.73 0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.56 1ji8 n LEU 42 CO 0.42 0.01 -0.32 1.21 -1.22 0.00 0.00 177.39 177.49 1ji8 n GLU 43 N -2.47 0.84 -0.18 3.23 0.00 -0.25 -5.04 120.64 116.77 1ji8 n GLU 43 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.10 1ji8 n GLU 43 Cb 0.64 -0.82 0.00 0.00 0.00 0.00 0.00 31.44 31.27 1ji8 n GLU 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ji8 n GLY 44 N 2.54 1.07 3.55 8.31 0.00 0.27 -4.97 105.19 115.96 1ji8 n GLY 44 Ca 0.00 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.02 -0.07 -0.28 -0.61 5.41 -1.25 -4.78 119.36 115.76 1ji8 n ILE 45 Ca 0.00 -0.71 0.08 0.00 1.00 0.00 0.00 62.75 63.12 1ji8 n ILE 45 Cb 0.01 -2.53 0.23 0.00 -0.71 0.00 0.00 39.64 36.64 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 17.87 0.42 -3.51 0.38 4.20 -1.94 -3.38 115.11 129.15 1ji8 h GLN 46 Ca -0.18 -0.03 -0.46 0.00 0.06 0.00 0.00 58.65 58.04 1ji8 h GLN 46 Cb 1.21 -0.09 -0.39 0.00 0.30 0.00 0.00 27.48 28.51 1ji8 h GLN 46 CO 1.14 0.28 -0.76 0.21 -0.67 0.00 0.00 178.83 179.03 1ji8 s LYS 47 N -5.97 0.47 0.17 1.46 2.20 -1.26 -5.11 119.74 111.69 1ji8 s LYS 47 Ca -0.12 -0.07 -0.31 0.00 -0.36 0.00 0.00 55.97 55.10 1ji8 s LYS 47 Cb 0.22 -1.45 -0.17 0.00 -1.51 0.00 0.00 37.83 34.93 1ji8 s LYS 47 CO 0.77 -0.48 0.79 -1.33 -0.36 0.00 0.00 175.35 174.75 1ji8 n MET 48 N 5.15 0.35 -2.81 4.03 2.81 -1.26 -4.88 117.12 120.51 1ji8 n MET 48 Ca -0.07 0.12 -0.40 0.00 -1.81 0.00 0.00 57.70 55.54 1ji8 n MET 48 Cb 0.49 -1.35 -0.06 0.00 -0.71 0.00 0.00 33.22 31.59 1ji8 n MET 48 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1ji8 s THR 49 N -0.68 4.19 0.60 2.03 2.01 -1.26 -4.91 115.64 117.63 1ji8 s THR 49 Ca 0.70 1.99 0.29 0.00 0.31 0.00 0.00 61.69 64.98 1ji8 s THR 49 Cb -0.96 -4.28 0.36 0.00 0.01 0.00 0.00 72.50 67.63 1ji8 s THR 49 CO 0.56 0.49 1.88 -0.08 -0.69 0.00 0.00 174.62 176.78 1ji8 h GLU 50 N 4.36 0.00 0.00 4.92 4.57 -2.01 -0.39 114.58 126.03 1ji8 h GLU 50 Ca -0.45 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 57.61 1ji8 h GLU 50 Cb 1.20 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.80 1ji8 h GLU 50 CO 0.68 0.00 -0.47 0.93 -1.18 0.00 0.00 179.01 178.97 1ji8 h GLU 51 N 0.00 0.31 -0.08 1.92 5.08 -2.00 -3.10 114.58 116.72 1ji8 h GLU 51 Ca 0.18 -0.34 0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1ji8 h GLU 51 Cb 1.12 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 1ji8 h GLU 51 CO -0.00 1.04 -0.34 0.45 -1.00 0.00 0.00 179.01 179.15 1ji8 h HIS 52 N -0.27 -0.95 -0.38 4.33 3.86 -1.45 0.10 115.15 120.40 1ji8 h HIS 52 Ca -0.06 0.04 0.11 0.00 -1.16 0.00 0.00 60.37 59.30 1ji8 h HIS 52 Cb 1.20 0.43 -0.02 0.00 1.06 0.00 0.00 27.41 30.09 1ji8 h HIS 52 CO 0.16 -0.42 0.29 -1.49 0.86 0.00 0.00 177.93 177.33 1ji8 h TRP 53 N -0.45 0.00 0.21 2.45 -0.00 -1.64 -1.80 115.95 114.72 1ji8 h TRP 53 Ca 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.96 1ji8 h TRP 53 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.73 1ji8 h TRP 53 CO -0.40 0.00 -0.10 -0.22 -0.00 0.00 0.00 178.44 177.72 1ji8 h LYS 54 N 0.00 -0.28 -0.60 0.49 1.63 -0.74 -1.53 116.57 115.54 1ji8 h LYS 54 Ca 0.18 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.97 1ji8 h LYS 54 Cb 0.76 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.42 1ji8 h LYS 54 CO -0.00 0.01 0.24 1.25 -3.45 0.00 0.00 179.45 177.50 1ji8 h LEU 55 N -0.56 0.80 -0.86 5.20 5.85 -0.80 -2.11 115.31 122.82 1ji8 h LEU 55 Ca -0.03 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 1ji8 h LEU 55 Cb 0.42 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1ji8 h LEU 55 CO 0.05 0.72 0.10 0.58 -0.34 0.00 0.00 178.44 179.54 1ji8 h VAL 56 N 0.86 1.25 0.26 1.05 2.07 -1.26 -2.26 116.25 118.22 1ji8 h VAL 56 Ca 0.20 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1ji8 h VAL 56 Cb 0.17 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1ji8 h VAL 56 CO -0.02 0.35 -0.13 0.50 0.02 0.00 0.00 177.57 178.30 1ji8 h LYS 57 N 0.89 -0.34 -0.94 1.57 1.63 -0.78 -2.71 116.57 115.89 1ji8 h LYS 57 Ca 0.18 0.02 0.17 0.00 -0.85 0.00 0.00 60.65 60.17 1ji8 h LYS 57 Cb 0.39 0.08 -0.10 0.00 -0.60 0.00 0.00 32.23 31.99 1ji8 h LYS 57 CO 0.01 0.01 0.54 -0.92 -3.45 0.00 0.00 179.45 175.63 1ji8 h TYR 58 N -0.75 0.95 -0.41 1.91 5.03 -1.37 0.14 116.97 122.45 1ji8 h TYR 58 Ca -0.04 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.28 1ji8 h TYR 58 Cb 0.50 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.48 1ji8 h TYR 58 CO 0.04 0.23 0.13 1.25 -1.32 0.00 0.00 178.16 178.48 1ji8 h LEU 59 N 0.72 0.55 -1.94 2.82 5.85 -1.36 -1.95 115.31 120.00 1ji8 h LEU 59 Ca 0.52 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 59.17 1ji8 h LEU 59 Cb 0.76 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1ji8 h LEU 59 CO -0.37 0.53 -0.01 0.03 -0.34 0.00 0.00 178.44 178.28 1ji8 h ARG 60 N 0.59 0.02 -0.21 1.25 3.08 -0.39 -2.23 114.38 116.49 1ji8 h ARG 60 Ca 0.14 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1ji8 h ARG 60 Cb 0.18 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1ji8 h ARG 60 CO -0.01 0.03 -0.08 1.49 -1.07 0.00 0.00 179.97 180.34 1ji8 h GLU 61 N 0.02 0.41 -0.56 0.04 4.57 -1.24 -2.27 114.58 115.55 1ji8 h GLU 61 Ca 0.00 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 57.95 1ji8 h GLU 61 Cb 0.04 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1ji8 h GLU 61 CO 0.00 0.68 0.08 1.88 -1.18 0.00 0.00 179.01 180.47 1ji8 h TYR 62 N 0.12 0.95 -0.14 0.92 -1.99 -1.45 -2.39 116.97 112.99 1ji8 h TYR 62 Ca 0.05 -0.12 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 1ji8 h TYR 62 Cb 0.55 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 39.01 1ji8 h TYR 62 CO 0.06 0.82 0.04 2.35 -0.00 0.00 0.00 178.16 181.43 1ji8 h TRP 63 N 0.85 0.22 0.00 4.88 7.01 -1.34 -1.92 115.95 125.65 1ji8 h TRP 63 Ca 0.17 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.15 1ji8 h TRP 63 Cb 0.40 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.39 1ji8 h TRP 63 CO 0.02 0.34 0.00 -1.91 -2.79 0.00 0.00 178.44 174.11 1ji8 n GLU 64 N -4.86 0.10 0.06 2.65 2.13 -0.86 0.15 120.64 120.02 1ji8 n GLU 64 Ca -0.05 0.42 0.07 0.00 0.66 0.00 0.00 57.16 58.26 1ji8 n GLU 64 Cb 0.14 -1.73 -0.05 0.00 0.27 0.00 0.00 31.44 30.07 1ji8 n GLU 64 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1ji8 n THR 65 N -1.93 0.79 0.00 6.31 -1.04 -0.78 -4.77 114.28 112.85 1ji8 n THR 65 Ca 0.02 -0.60 0.00 0.00 -2.04 0.00 0.00 64.05 61.42 1ji8 n THR 65 Cb 0.15 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 1ji8 n THR 65 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1ji8 n PHE 66 N -2.72 -0.24 0.00 -1.42 -0.00 -0.81 -5.07 117.46 107.21 1ji8 n PHE 66 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.40 1ji8 n PHE 66 Cb 0.67 0.19 0.00 0.00 -0.00 0.00 0.00 39.48 40.34 1ji8 n PHE 66 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ji8 n GLY 67 N 0.75 0.87 3.33 7.13 0.00 0.40 -5.04 105.19 112.64 1ji8 n GLY 67 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1ji8 n GLY 67 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ji8 s THR 68 N -1.65 0.06 -0.32 2.61 -1.32 -1.26 -5.02 115.64 108.74 1ji8 s THR 68 Ca 0.00 -0.49 -0.15 0.00 -1.21 0.00 0.00 61.69 59.84 1ji8 s THR 68 Cb 0.00 -1.11 -0.02 0.00 -1.51 0.00 0.00 72.50 69.86 1ji8 s THR 68 CO 0.00 -0.27 0.35 0.00 -2.21 0.00 0.00 174.62 172.50 1ji8 s PRO 70 N 2.02 -0.02 0.00 0.00 0.04 -1.26 -5.06 135.00 130.71 1ji8 s PRO 70 Ca 0.12 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1ji8 s PRO 70 Cb -0.16 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1ji8 s PRO 70 CO 0.11 -2.94 0.00 -0.35 0.04 0.00 0.00 177.00 173.86 1ji8 n PRO 71 N -4.24 1.09 0.00 0.56 -0.04 -1.26 -4.87 135.00 126.24 1ji8 n PRO 71 Ca 0.10 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.57 1ji8 n PRO 71 Cb 0.59 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.06 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 -0.37 0.00 -0.05 0.52 0.13 -1.26 -4.53 119.36 113.80 1ji8 n ILE 72 Ca 0.00 -0.49 -0.22 0.00 -1.10 0.00 0.00 62.75 60.94 1ji8 n ILE 72 Cb 0.00 1.04 -0.13 0.00 -0.84 0.00 0.00 39.64 39.71 1ji8 n ILE 72 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1ji8 n LYS 73 N -0.03 0.67 0.24 9.51 3.00 -1.26 -3.75 118.16 126.53 1ji8 n LYS 73 Ca 0.01 0.41 0.11 0.00 -0.00 0.00 0.00 58.31 58.84 1ji8 n LYS 73 Cb 0.06 -1.72 0.55 0.00 0.00 0.00 0.00 35.03 33.91 1ji8 n LYS 73 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 1ji8 h MET 74 N -0.43 0.00 -0.23 1.64 2.86 -1.99 -3.01 114.93 113.77 1ji8 h MET 74 Ca -0.39 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.09 1ji8 h MET 74 Cb 1.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.36 1ji8 h MET 74 CO -0.05 0.18 -0.46 0.28 1.06 0.00 0.00 176.91 177.92 1ji8 h VAL 75 N 0.00 1.31 -0.40 -2.22 2.07 -1.80 -3.24 116.25 111.98 1ji8 h VAL 75 Ca -0.00 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 1ji8 h VAL 75 Cb 0.62 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1ji8 h VAL 75 CO 0.02 0.53 0.20 0.74 0.02 0.00 0.00 177.57 179.08 1ji8 h THR 76 N 0.43 1.17 -0.80 2.57 2.02 -1.62 -2.55 112.91 114.14 1ji8 h THR 76 Ca 0.01 -0.47 0.18 0.00 0.77 0.00 0.00 66.41 66.90 1ji8 h THR 76 Cb 1.06 0.75 -0.14 0.00 -1.74 0.00 0.00 68.15 68.08 1ji8 h THR 76 CO 0.10 0.18 -0.01 0.50 0.37 0.00 0.00 175.52 176.67 1ji8 h LYS 77 N 0.51 0.08 -0.09 6.66 3.64 -1.56 1.90 116.57 127.71 1ji8 h LYS 77 Ca 0.14 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 1ji8 h LYS 77 Cb 0.11 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1ji8 h LYS 77 CO -0.02 0.05 -0.46 0.93 -2.27 0.00 0.00 179.45 177.69 1ji8 h GLU 78 N 0.09 0.22 0.00 1.90 5.08 -1.56 -3.40 114.58 116.91 1ji8 h GLU 78 Ca 0.44 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1ji8 h GLU 78 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1ji8 h GLU 78 CO -0.72 0.64 0.00 0.25 -1.00 0.00 0.00 179.01 178.18 1ji8 n THR 79 N -3.99 0.00 0.00 1.13 -2.24 0.16 -5.05 114.28 104.29 1ji8 n THR 79 Ca -0.02 0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 1ji8 n THR 79 Cb 0.51 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 1ji8 n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ji8 n GLY 80 N 2.32 1.20 3.51 3.38 0.00 0.60 -5.03 105.19 111.16 1ji8 n GLY 80 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1ji8 n GLY 80 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ji8 n PHE 81 N 0.00 0.56 -1.52 1.61 3.01 -1.26 -4.74 117.46 115.12 1ji8 n PHE 81 Ca 0.00 0.24 -0.55 0.00 1.01 0.00 0.00 57.45 58.15 1ji8 n PHE 81 Cb 0.00 -1.97 -0.06 0.00 -0.01 0.00 0.00 39.48 37.43 1ji8 n PHE 81 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ji8 n SER 82 N 10.33 0.37 -0.31 4.37 2.88 -1.26 -4.74 113.62 125.27 1ji8 n SER 82 Ca 0.62 1.15 0.16 0.00 -1.33 0.00 0.00 58.87 59.47 1ji8 n SER 82 Cb 0.13 -1.02 0.41 0.00 -0.75 0.00 0.00 64.21 62.98 1ji8 n SER 82 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1ji8 h LEU 83 N 3.14 0.62 -0.96 2.46 5.85 -1.97 0.87 115.31 125.32 1ji8 h LEU 83 Ca -0.47 0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.42 1ji8 h LEU 83 Cb 1.40 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.31 1ji8 h LEU 83 CO 0.67 0.23 0.60 -0.08 -0.34 0.00 0.00 178.44 179.53 1ji8 h GLU 84 N 0.61 0.98 0.40 1.25 4.81 -1.99 -1.71 114.58 118.92 1ji8 h GLU 84 Ca 0.53 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.68 1ji8 h GLU 84 Cb 1.03 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1ji8 h GLU 84 CO -0.28 0.65 -0.19 -0.22 -0.73 0.00 0.00 179.01 178.23 1ji8 h LYS 85 N 1.01 -0.52 -0.87 1.92 3.64 -1.14 -1.52 116.57 119.08 1ji8 h LYS 85 Ca 0.45 0.04 0.23 0.00 -1.27 0.00 0.00 60.65 60.10 1ji8 h LYS 85 Cb 0.36 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.25 1ji8 h LYS 85 CO -0.23 -0.24 0.60 0.82 -2.27 0.00 0.00 179.45 178.13 1ji8 h ILE 86 N -0.75 0.61 -0.03 2.00 2.04 -1.30 0.20 117.51 120.29 1ji8 h ILE 86 Ca -0.06 -0.06 -0.21 0.00 1.00 0.00 0.00 64.86 65.54 1ji8 h ILE 86 Cb 0.52 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1ji8 h ILE 86 CO 0.09 0.03 -0.87 1.88 0.00 0.00 0.00 178.15 179.28 1ji8 h TYR 87 N 0.16 0.63 0.00 1.37 -1.99 -0.96 0.64 116.97 116.82 1ji8 h TYR 87 Ca 0.43 -0.32 -0.07 0.00 2.00 0.00 0.00 58.73 60.77 1ji8 h TYR 87 Cb 1.44 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 40.08 1ji8 h TYR 87 CO -0.00 1.12 -0.35 1.96 -0.00 0.00 0.00 178.16 180.88 1ji8 h GLN 88 N 0.27 0.00 0.00 4.88 4.20 0.39 -3.02 115.11 121.83 1ji8 h GLN 88 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1ji8 h GLN 88 Cb 1.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.26 1ji8 h GLN 88 CO 0.15 0.35 -1.52 1.28 -0.67 0.00 0.00 178.83 178.42 1ji8 n LEU 89 N -3.57 0.41 -3.69 1.46 4.77 -0.48 -4.80 117.00 111.09 1ji8 n LEU 89 Ca -0.00 0.15 -0.27 0.00 -0.03 0.00 0.00 56.01 55.85 1ji8 n LEU 89 Cb 0.48 -0.03 -0.16 0.00 -2.33 0.00 0.00 43.42 41.38 1ji8 n LEU 89 CO 0.36 -0.09 -0.35 0.12 -1.33 0.00 0.00 177.39 176.10 1ji8 s PHE 90 N -3.44 0.76 0.11 -1.77 2.19 0.21 -5.00 117.98 111.04 1ji8 s PHE 90 Ca -0.04 -0.73 -0.12 0.00 0.33 0.00 0.00 56.93 56.37 1ji8 s PHE 90 Cb 0.12 -0.94 -0.12 0.00 -1.31 0.00 0.00 43.02 40.76 1ji8 s PHE 90 CO 0.85 -0.60 1.35 -1.00 1.83 0.00 0.00 175.22 177.65 1ji8 h PRO 91 N 8.30 0.81 -0.70 10.12 0.13 -1.83 -3.23 132.00 145.60 1ji8 h PRO 91 Ca -0.16 -0.61 0.12 0.00 -0.87 0.00 0.00 66.00 64.48 1ji8 h PRO 91 Cb 1.12 0.11 -0.08 0.00 0.13 0.00 0.00 31.00 32.28 1ji8 h PRO 91 CO 0.33 1.22 0.28 0.66 -0.23 0.00 0.00 178.00 180.26 1ji8 h SER 92 N 0.57 0.27 -4.96 1.44 4.64 -1.94 -3.48 113.55 110.10 1ji8 h SER 92 Ca -0.03 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1ji8 h SER 92 Cb 1.32 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1ji8 h SER 92 CO 0.15 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.85 1ji8 n GLY 93 N -1.31 3.40 0.00 -0.77 0.00 -1.22 -4.84 105.19 100.44 1ji8 n GLY 93 Ca 0.12 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.04 0.62 0.00 1.61 -0.04 -1.26 -2.14 135.00 132.74 1ji8 n PRO 94 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ji8 n PRO 94 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -3.00 0.00 -0.11 0.55 0.00 -1.26 -2.24 120.51 114.45 1ji8 n ALA 95 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1ji8 n ALA 95 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.66 0.27 0.00 3.86 -1.94 -2.49 115.15 115.51 1ji8 h HIS 96 Ca 0.00 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 1ji8 h HIS 96 Cb 0.00 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.30 1ji8 h HIS 96 CO 0.00 0.74 -0.13 0.78 0.86 0.00 0.00 177.93 180.18 1ji8 h GLY 97 N 0.40 -0.38 -0.83 2.45 0.00 -0.96 -1.85 103.07 101.89 1ji8 h GLY 97 Ca 0.09 0.14 0.11 0.00 0.00 0.00 0.00 47.33 47.67 1ji8 h GLY 97 CO 0.02 -0.14 -0.47 0.00 0.00 0.00 0.00 176.54 175.96 1ji8 h ALA 98 N -1.79 -0.22 0.04 3.60 0.00 -1.66 -1.41 119.26 117.82 1ji8 h ALA 98 Ca -0.04 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1ji8 h ALA 98 Cb 0.28 1.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1ji8 h ALA 98 CO 0.06 -0.80 -0.42 0.00 0.00 0.00 0.00 179.25 178.10 1ji8 h LYS 100 N -0.55 0.01 -0.22 0.00 1.57 -0.40 0.25 116.57 117.22 1ji8 h LYS 100 Ca 0.00 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1ji8 h LYS 100 Cb 0.58 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 1ji8 h LYS 100 CO -0.26 0.00 -0.07 0.28 -0.57 0.00 0.00 179.45 178.84 1ji8 h VAL 101 N 0.01 0.75 0.00 0.50 2.07 -0.57 0.46 116.25 119.46 1ji8 h VAL 101 Ca 0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.97 1ji8 h VAL 101 Cb 0.71 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1ji8 h VAL 101 CO -0.92 0.00 0.00 0.00 0.02 0.00 0.00 177.57 176.67 1ji8 h ALA 102 N 1.19 1.00 -2.94 1.67 0.00 0.12 -3.44 119.26 116.87 1ji8 h ALA 102 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ji8 h ALA 102 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ji8 h ALA 102 CO -0.24 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.42 1ji8 n GLY 103 N -0.61 -0.28 3.68 0.00 0.00 0.15 -4.98 105.19 103.15 1ji8 n GLY 103 Ca -0.01 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.97 3.27 0.11 4.61 0.00 -1.23 -4.67 121.76 120.87 1ji8 s ALA 104 Ca 0.00 -1.66 -0.31 0.00 0.00 0.00 0.00 51.96 49.99 1ji8 s ALA 104 Cb 0.00 -0.82 -0.07 0.00 0.00 0.00 0.00 23.12 22.23 1ji8 s ALA 104 CO 0.00 0.22 1.24 -1.25 0.00 0.00 0.00 175.76 175.97 1ji8 s PRO 105 N -3.72 4.43 0.21 0.00 0.04 -1.26 -4.88 135.00 129.81 1ji8 s PRO 105 Ca 0.33 1.86 -0.27 0.00 0.04 0.00 0.00 61.00 62.96 1ji8 s PRO 105 Cb -0.06 -3.30 -0.08 0.00 0.04 0.00 0.00 34.50 31.10 1ji8 s PRO 105 CO 0.21 -0.25 0.85 -1.59 0.04 0.00 0.00 177.00 176.26 1ji8 s LYS 106 N 0.70 4.67 0.00 4.56 -2.85 -1.26 -4.90 119.74 120.66 1ji8 s LYS 106 Ca 0.58 1.28 0.00 0.00 -1.00 0.00 0.00 55.97 56.84 1ji8 s LYS 106 Cb -0.32 -3.22 0.00 0.00 -2.06 0.00 0.00 37.83 32.23 1ji8 s LYS 106 CO 0.31 0.53 0.00 -0.35 0.10 0.00 0.00 175.35 175.94 1ji8 n PRO 107 N 1.45 0.81 -2.47 1.78 -0.04 -1.26 -4.87 135.00 130.39 1ji8 n PRO 107 Ca -0.04 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.38 1ji8 n PRO 107 Cb 0.48 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.91 1ji8 n PRO 107 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1ji8 n THR 108 N -0.58-11.63 -3.80 0.52 -1.04 -1.26 -5.08 114.28 91.41 1ji8 n THR 108 Ca 0.00 2.34 -0.05 0.00 -2.04 0.00 0.00 64.05 64.30 1ji8 n THR 108 Cb 0.00 -6.26 -0.01 0.00 -1.82 0.00 0.00 70.33 62.24 1ji8 n THR 108 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1ji8 s GLY 109 N -0.72 -0.13 -0.46 3.41 0.00 -1.26 -5.11 107.32 103.04 1ji8 s GLY 109 Ca -0.22 -0.09 0.07 0.00 0.00 0.00 0.00 44.72 44.48 1ji8 s GLY 109 CO 0.70 0.09 0.78 0.00 0.00 0.00 0.00 173.10 174.67