#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ji8 n PRO 2 N 0.00 -0.06 -3.37 0.03 -0.04 -1.26 -5.07 135.00 125.22 1ji8 n PRO 2 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 1ji8 n PRO 2 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1ji8 n PRO 2 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ji8 s VAL 3 N -0.60 2.46 -0.25 0.52 -7.23 -1.26 -5.12 120.40 108.92 1ji8 s VAL 3 Ca 0.00 -1.21 -0.02 0.00 -1.81 0.00 0.00 61.98 58.94 1ji8 s VAL 3 Cb 0.00 -2.67 0.13 0.00 0.56 0.00 0.00 36.38 34.40 1ji8 s VAL 3 CO 0.00 0.00 0.36 -0.54 -0.31 0.00 0.00 175.10 174.61 1ji8 s LYS 4 N -4.33 0.34 0.44 4.82 3.01 -1.26 -5.09 119.74 117.68 1ji8 s LYS 4 Ca 0.50 0.39 -0.06 0.00 -1.01 0.00 0.00 55.97 55.80 1ji8 s LYS 4 Cb -0.05 -0.56 -0.04 0.00 -1.01 0.00 0.00 37.83 36.17 1ji8 s LYS 4 CO 0.30 -0.73 0.74 0.00 0.51 0.00 0.00 175.35 176.18 1ji8 s PRO 6 N -4.47 4.26 -0.08 0.00 0.04 -1.21 -4.82 135.00 128.73 1ji8 s PRO 6 Ca 0.47 1.54 -0.31 0.00 0.04 0.00 0.00 61.00 62.74 1ji8 s PRO 6 Cb -0.10 -2.65 0.12 0.00 0.04 0.00 0.00 34.50 31.91 1ji8 s PRO 6 CO 0.41 -0.06 1.39 0.20 0.04 0.00 0.00 177.00 178.97 1ji8 s GLY 7 N -1.47 -0.34 -0.16 0.56 0.00 -0.74 -4.98 107.32 100.18 1ji8 s GLY 7 Ca 0.55 0.52 -0.01 0.00 0.00 0.00 0.00 44.72 45.79 1ji8 s GLY 7 CO 0.29 3.45 -0.11 -0.54 0.00 0.00 0.00 173.10 176.19 1ji8 s GLU 8 N -2.05 3.34 0.13 2.90 2.02 -1.26 -1.00 118.70 122.78 1ji8 s GLU 8 Ca 0.23 -0.69 0.06 0.00 0.02 0.00 0.00 54.97 54.59 1ji8 s GLU 8 Cb 0.04 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.50 1ji8 s GLU 8 CO -0.04 0.05 -0.13 0.71 0.02 0.00 0.00 175.26 175.86 1ji8 s TYR 9 N 0.78 1.36 -0.10 1.61 1.51 -0.60 -4.97 117.35 116.94 1ji8 s TYR 9 Ca -0.04 -0.61 0.01 0.00 -1.01 0.00 0.00 57.07 55.42 1ji8 s TYR 9 Cb -0.15 -0.70 -0.02 0.00 -0.11 0.00 0.00 41.96 40.98 1ji8 s TYR 9 CO 0.01 0.13 -0.12 1.14 -1.11 0.00 0.00 175.55 175.60 1ji8 s GLN 10 N -2.97 3.01 -0.48 -0.62 1.03 -1.26 -0.58 119.66 117.80 1ji8 s GLN 10 Ca 0.11 -0.66 0.00 0.00 0.04 0.00 0.00 55.36 54.86 1ji8 s GLN 10 Cb -0.03 -2.56 0.13 0.00 0.03 0.00 0.00 33.01 30.58 1ji8 s GLN 10 CO 0.03 0.42 0.25 0.08 -2.54 0.00 0.00 175.29 173.52 1ji8 s VAL 11 N -0.18 2.99 -0.10 3.63 1.01 -0.81 -4.89 120.40 122.05 1ji8 s VAL 11 Ca 0.00 -2.69 -0.03 0.00 0.00 0.00 0.00 61.98 59.27 1ji8 s VAL 11 Cb -0.13 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.20 1ji8 s VAL 11 CO 0.03 -0.75 0.05 0.47 0.00 0.00 0.00 175.10 174.91 1ji8 n ASP 12 N 3.84 -5.89 -3.98 3.32 8.00 -1.26 -3.51 116.55 117.07 1ji8 n ASP 12 Ca 0.04 0.98 -0.42 0.00 0.71 0.00 0.00 54.79 56.09 1ji8 n ASP 12 Cb 0.38 -3.13 0.02 0.00 -0.02 0.00 0.00 41.12 38.38 1ji8 n ASP 12 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ji8 n GLY 13 N 1.62 -0.85 3.54 0.44 0.00 -1.26 -4.94 105.19 103.75 1ji8 n GLY 13 Ca -0.09 0.36 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 1ji8 n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ji8 s LYS 14 N -7.06 0.76 0.05 1.61 1.02 -1.23 -5.17 119.74 109.72 1ji8 s LYS 14 Ca 0.47 0.02 0.08 0.00 0.02 0.00 0.00 55.97 56.55 1ji8 s LYS 14 Cb -0.24 0.35 -0.03 0.00 -0.52 0.00 0.00 37.83 37.40 1ji8 s LYS 14 CO 0.94 -0.27 -0.19 0.15 -0.92 0.00 0.00 175.35 175.06 1ji8 s LYS 15 N -1.78 1.98 -0.03 1.68 1.02 -1.26 -1.92 119.74 119.43 1ji8 s LYS 15 Ca -0.01 -1.03 -0.02 0.00 0.02 0.00 0.00 55.97 54.92 1ji8 s LYS 15 Cb -0.01 -2.15 0.01 0.00 -0.52 0.00 0.00 37.83 35.17 1ji8 s LYS 15 CO -0.00 0.53 0.08 0.08 -0.92 0.00 0.00 175.35 175.11 1ji8 s VAL 16 N -0.94 -0.01 -0.43 3.17 1.01 0.26 -4.89 120.40 118.56 1ji8 s VAL 16 Ca 0.15 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.18 1ji8 s VAL 16 Cb -0.10 -0.12 0.12 0.00 0.00 0.00 0.00 36.38 36.27 1ji8 s VAL 16 CO 0.06 0.02 0.18 -0.63 0.00 0.00 0.00 175.10 174.72 1ji8 s ILE 17 N 0.25 2.77 -0.12 2.22 1.01 -1.26 -1.57 121.20 124.50 1ji8 s ILE 17 Ca -0.02 -2.55 -0.29 0.00 0.00 0.00 0.00 60.65 57.79 1ji8 s ILE 17 Cb -0.03 -2.94 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 1ji8 s ILE 17 CO -0.01 -0.70 1.25 -0.76 0.00 0.00 0.00 174.94 174.73 1ji8 s LEU 18 N 0.60 4.22 0.00 2.97 1.43 -0.17 -3.72 118.68 124.01 1ji8 s LEU 18 Ca 0.12 1.76 -0.02 0.00 -1.03 0.00 0.00 54.13 54.96 1ji8 s LEU 18 Cb -0.22 -3.55 0.03 0.00 0.03 0.00 0.00 46.19 42.49 1ji8 s LEU 18 CO -0.05 -0.70 0.12 -0.67 0.23 0.00 0.00 176.35 175.28 1ji8 n ASP 19 N 6.11 -1.13 0.22 2.29 2.03 -0.70 -1.79 116.55 123.57 1ji8 n ASP 19 Ca 0.13 -0.57 0.15 0.00 0.52 0.00 0.00 54.79 55.03 1ji8 n ASP 19 Cb 0.45 -0.11 0.78 0.00 -0.72 0.00 0.00 41.12 41.52 1ji8 n ASP 19 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1ji8 h GLU 20 N 0.00 0.00 -0.62 -0.67 4.11 -1.92 -2.06 114.58 113.42 1ji8 h GLU 20 Ca -0.05 0.00 -0.43 0.00 0.07 0.00 0.00 59.36 58.95 1ji8 h GLU 20 Cb 0.14 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.10 1ji8 h GLU 20 CO 0.03 0.00 -0.36 -3.47 0.07 0.00 0.00 179.01 175.28 1ji8 n ASP 21 N -2.59 4.47 -2.34 3.06 2.03 -1.26 -4.36 116.55 115.55 1ji8 n ASP 21 Ca -0.01 -3.79 -0.11 0.00 0.52 0.00 0.00 54.79 51.40 1ji8 n ASP 21 Cb 0.10 -0.53 -0.01 0.00 -0.72 0.00 0.00 41.12 39.96 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 -2.50 3.84 -0.35 0.00 5.36 -1.26 -4.72 117.98 118.35 1ji8 s PHE 23 Ca 0.00 1.57 -0.21 0.00 -0.96 0.00 0.00 56.93 57.32 1ji8 s PHE 23 Cb 0.00 -2.73 0.00 0.00 -0.34 0.00 0.00 43.02 39.96 1ji8 s PHE 23 CO 0.00 0.47 0.69 1.41 -1.46 0.00 0.00 175.22 176.33 1ji8 s MET 24 N -1.36 3.74 -0.19 10.12 -2.45 -1.26 -1.73 119.30 126.17 1ji8 s MET 24 Ca 0.37 0.19 0.07 0.00 -1.25 0.00 0.00 55.69 55.08 1ji8 s MET 24 Cb -0.21 -3.79 0.50 0.00 1.25 0.00 0.00 34.83 32.57 1ji8 s MET 24 CO 0.25 -0.75 1.38 1.04 1.05 0.00 0.00 175.02 177.99 1ji8 n GLN 25 N 6.15 3.01 -3.22 4.11 1.13 -1.24 -4.44 117.38 122.87 1ji8 n GLN 25 Ca 0.00 -1.99 -0.24 0.00 -1.94 0.00 0.00 57.00 52.84 1ji8 n GLN 25 Cb 0.48 -1.92 -0.06 0.00 0.11 0.00 0.00 30.24 28.85 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 0.13 1.60 0.10 1.08 2.85 -1.26 -4.88 115.26 114.87 1ji8 n ASN 26 Ca 0.24 -3.03 0.12 0.00 -0.11 0.00 0.00 54.58 51.79 1ji8 n ASN 26 Cb 0.97 -0.64 0.45 0.00 1.24 0.00 0.00 39.78 41.81 1ji8 n ASN 26 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1ji8 n PRO 27 N 0.89 0.17 0.02 1.20 -0.04 -1.26 -2.54 135.00 133.44 1ji8 n PRO 27 Ca 0.25 0.32 0.13 0.00 -0.04 0.00 0.00 63.50 64.16 1ji8 n PRO 27 Cb 0.51 -1.78 0.54 0.00 -0.04 0.00 0.00 33.50 32.73 1ji8 n PRO 27 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ji8 n GLU 28 N -2.09 0.04 0.00 0.54 -0.00 -1.26 -3.10 120.64 114.78 1ji8 n GLU 28 Ca 0.03 0.08 0.05 0.00 -0.00 0.00 0.00 57.16 57.33 1ji8 n GLU 28 Cb 0.28 -1.55 -0.01 0.00 -0.00 0.00 0.00 31.44 30.16 1ji8 n GLU 28 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1ji8 n ASP 29 N -1.63 1.16 -4.44 -1.84 2.03 -1.05 -5.03 116.55 105.76 1ji8 n ASP 29 Ca 0.06 -1.08 -0.44 0.00 0.52 0.00 0.00 54.79 53.85 1ji8 n ASP 29 Cb 0.32 0.51 -0.01 0.00 -0.72 0.00 0.00 41.12 41.23 1ji8 n ASP 29 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1ji8 n TRP 30 N -0.33 -0.45 -2.35 -0.67 -0.00 -1.18 -4.93 117.44 107.53 1ji8 n TRP 30 Ca 0.04 0.73 0.00 0.00 -0.00 0.00 0.00 57.50 58.27 1ji8 n TRP 30 Cb 0.21 -1.99 0.00 0.00 -0.00 0.00 0.00 31.31 29.53 1ji8 n TRP 30 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1ji8 n ASP 31 N 1.66 0.00 0.09 5.87 8.00 -1.26 -4.99 116.55 125.93 1ji8 n ASP 31 Ca 0.13 -0.34 -0.07 0.00 0.71 0.00 0.00 54.79 55.22 1ji8 n ASP 31 Cb 0.34 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.40 1ji8 n ASP 31 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1ji8 h GLU 32 N 0.00 -0.32 -0.07 -1.24 4.57 -1.99 -2.36 114.58 113.17 1ji8 h GLU 32 Ca 0.00 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.14 1ji8 h GLU 32 Cb 0.00 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1ji8 h GLU 32 CO 0.00 -0.12 -0.23 -0.22 -1.18 0.00 0.00 179.01 177.26 1ji8 h LYS 33 N -1.05 0.12 0.20 1.92 3.64 -1.98 -1.78 116.57 117.63 1ji8 h LYS 33 Ca -0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1ji8 h LYS 33 Cb 0.34 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1ji8 h LYS 33 CO 0.06 0.35 -0.10 0.28 -2.27 0.00 0.00 179.45 177.77 1ji8 h VAL 34 N 0.11 0.89 0.33 2.00 2.07 -1.92 -1.67 116.25 118.06 1ji8 h VAL 34 Ca 0.02 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1ji8 h VAL 34 Cb 0.48 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1ji8 h VAL 34 CO 0.03 0.15 -0.16 0.00 0.02 0.00 0.00 177.57 177.61 1ji8 h ALA 35 N 0.08 -0.44 -0.92 1.67 0.00 -1.34 -1.83 119.26 116.48 1ji8 h ALA 35 Ca -0.03 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 54.93 1ji8 h ALA 35 Cb 0.45 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1ji8 h ALA 35 CO 0.05 -0.67 0.59 1.49 0.00 0.00 0.00 179.25 180.71 1ji8 h GLU 36 N -0.60 0.51 -0.30 0.00 4.81 -1.40 0.33 114.58 117.93 1ji8 h GLU 36 Ca -0.05 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.00 1ji8 h GLU 36 Cb 0.44 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1ji8 h GLU 36 CO 0.07 0.34 -0.43 2.35 -0.73 0.00 0.00 179.01 180.61 1ji8 h TRP 37 N 0.53 0.92 0.14 0.92 7.01 -0.99 -1.21 115.95 123.27 1ji8 h TRP 37 Ca 0.48 -0.29 -0.01 0.00 2.11 0.00 0.00 58.89 61.19 1ji8 h TRP 37 Cb 1.03 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.90 1ji8 h TRP 37 CO -0.00 1.06 -0.07 1.25 -2.79 0.00 0.00 178.44 177.89 1ji8 h LEU 38 N 0.61 -0.15 -1.33 0.65 6.46 -0.09 -1.90 115.31 119.55 1ji8 h LEU 38 Ca 0.04 -0.11 -0.06 0.00 -0.12 0.00 0.00 57.88 57.64 1ji8 h LEU 38 Cb 1.00 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.96 1ji8 h LEU 38 CO 0.09 0.01 -0.28 0.00 -0.62 0.00 0.00 178.44 177.64 1ji8 h ALA 39 N 0.53 1.19 -0.25 1.25 0.00 -1.43 -1.78 119.26 118.77 1ji8 h ALA 39 Ca -0.02 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1ji8 h ALA 39 Cb 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ji8 h ALA 39 CO 0.03 0.35 -0.15 -0.09 0.00 0.00 0.00 179.25 179.40 1ji8 h ARG 40 N 0.00 0.53 0.06 0.00 1.12 -0.89 0.40 114.38 115.60 1ji8 h ARG 40 Ca -0.00 -0.24 -0.26 0.00 -1.11 0.00 0.00 59.98 58.36 1ji8 h ARG 40 Cb 0.65 -0.01 0.01 0.00 -0.01 0.00 0.00 29.97 30.61 1ji8 h ARG 40 CO 0.04 0.81 -1.10 1.49 -3.11 0.00 0.00 179.97 178.10 1ji8 h GLU 41 N 0.25 0.45 0.00 0.20 4.57 -1.25 -0.34 114.58 118.46 1ji8 h GLU 41 Ca 0.05 -0.57 -0.02 0.00 -1.18 0.00 0.00 59.36 57.64 1ji8 h GLU 41 Cb 0.66 0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 29.43 1ji8 h GLU 41 CO 0.04 1.22 -0.33 1.25 -1.18 0.00 0.00 179.01 180.01 1ji8 h LEU 42 N 0.22 0.00 -0.04 1.64 6.46 -1.36 -3.37 115.31 118.85 1ji8 h LEU 42 Ca -0.12 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 1ji8 h LEU 42 Cb 1.76 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.69 1ji8 h LEU 42 CO 0.20 0.73 0.00 -0.33 -0.62 0.00 0.00 178.44 178.41 1ji8 h GLU 43 N -1.00 0.00 0.00 1.25 3.07 -0.49 -3.47 114.58 113.94 1ji8 h GLU 43 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1ji8 h GLU 43 Cb 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1ji8 h GLU 43 CO -0.02 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.00 1ji8 n GLY 44 N 1.18 0.60 3.56 -3.84 0.00 -0.08 -4.95 105.19 101.65 1ji8 n GLY 44 Ca 0.05 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 1ji8 n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ji8 s ILE 45 N -2.00 3.28 -0.58 -0.61 1.01 -0.91 -4.79 121.20 116.61 1ji8 s ILE 45 Ca 0.00 0.18 0.22 0.00 0.00 0.00 0.00 60.65 61.05 1ji8 s ILE 45 Cb 0.00 -3.68 0.23 0.00 0.01 0.00 0.00 42.46 39.02 1ji8 s ILE 45 CO 0.00 -0.64 1.68 1.67 0.00 0.00 0.00 174.94 177.65 1ji8 n GLN 46 N 9.07 0.16 -3.45 2.79 7.27 -1.26 -3.85 117.38 128.11 1ji8 n GLN 46 Ca 0.25 0.38 0.01 0.00 0.07 0.00 0.00 57.00 57.71 1ji8 n GLN 46 Cb 0.52 -1.81 -0.04 0.00 2.41 0.00 0.00 30.24 31.32 1ji8 n GLN 46 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1ji8 s LYS 47 N -3.25 0.34 0.16 3.69 2.47 -1.26 -5.09 119.74 116.80 1ji8 s LYS 47 Ca 0.05 0.85 -0.31 0.00 -1.56 0.00 0.00 55.97 55.00 1ji8 s LYS 47 Cb 0.10 0.50 -0.09 0.00 -1.46 0.00 0.00 37.83 36.88 1ji8 s LYS 47 CO 0.38 -0.12 1.41 -1.64 0.16 0.00 0.00 175.35 175.55 1ji8 s MET 48 N 2.50 4.31 0.00 4.03 -1.94 -1.26 -5.01 119.30 121.92 1ji8 s MET 48 Ca -0.03 2.16 0.00 0.00 -1.71 0.00 0.00 55.69 56.11 1ji8 s MET 48 Cb -0.07 -3.20 0.00 0.00 2.01 0.00 0.00 34.83 33.57 1ji8 s MET 48 CO -0.18 -0.43 0.00 0.25 -0.01 0.00 0.00 175.02 174.66 1ji8 n THR 49 N 3.43 0.00 -0.06 2.05 -2.24 -1.26 -4.94 114.28 111.26 1ji8 n THR 49 Ca 0.10 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.78 1ji8 n THR 49 Cb 0.41 -1.87 -0.10 0.00 -2.10 0.00 0.00 70.33 66.68 1ji8 n THR 49 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ji8 h GLU 50 N 0.00 -0.00 -0.38 -0.78 5.08 -2.01 -3.30 114.58 113.18 1ji8 h GLU 50 Ca 0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1ji8 h GLU 50 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1ji8 h GLU 50 CO 0.00 0.74 0.27 0.93 -1.00 0.00 0.00 179.01 179.95 1ji8 h GLU 51 N -1.00 0.07 0.69 2.33 4.39 -1.99 -2.52 114.58 116.55 1ji8 h GLU 51 Ca -0.00 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1ji8 h GLU 51 Cb 0.74 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1ji8 h GLU 51 CO 0.00 0.05 -0.45 0.45 -1.16 0.00 0.00 179.01 177.90 1ji8 h HIS 52 N 0.07 -1.21 -0.55 4.33 3.86 -1.94 -1.89 115.15 117.83 1ji8 h HIS 52 Ca 0.18 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.46 1ji8 h HIS 52 Cb 0.62 0.44 -0.03 0.00 1.06 0.00 0.00 27.41 29.50 1ji8 h HIS 52 CO -0.00 -0.66 0.37 -1.49 0.86 0.00 0.00 177.93 177.01 1ji8 h TRP 53 N -1.08 0.45 0.57 2.45 -0.00 -1.56 -2.37 115.95 114.41 1ji8 h TRP 53 Ca -0.09 0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 58.79 1ji8 h TRP 53 Cb 0.87 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.16 29.88 1ji8 h TRP 53 CO -0.10 0.23 -0.36 -0.22 -0.00 0.00 0.00 178.44 177.98 1ji8 h LYS 54 N 0.44 -0.86 -0.08 0.49 3.11 -1.02 -0.90 116.57 117.75 1ji8 h LYS 54 Ca 0.25 0.06 0.03 0.00 -2.81 0.00 0.00 60.65 58.17 1ji8 h LYS 54 Cb 0.40 0.19 -0.03 0.00 -1.00 0.00 0.00 32.23 31.80 1ji8 h LYS 54 CO -0.07 -0.57 -0.08 1.25 -2.81 0.00 0.00 179.45 177.17 1ji8 h LEU 55 N -0.89 -0.25 -2.01 5.20 5.85 -0.99 -0.78 115.31 121.45 1ji8 h LEU 55 Ca -0.07 0.05 0.15 0.00 0.84 0.00 0.00 57.88 58.86 1ji8 h LEU 55 Cb 0.73 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1ji8 h LEU 55 CO 0.06 -0.11 0.41 0.58 -0.34 0.00 0.00 178.44 179.04 1ji8 h VAL 56 N -0.10 0.64 0.13 1.05 2.07 -1.30 -2.11 116.25 116.62 1ji8 h VAL 56 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1ji8 h VAL 56 Cb 0.19 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1ji8 h VAL 56 CO -0.14 0.00 -0.06 0.11 0.02 0.00 0.00 177.57 177.50 1ji8 h LYS 57 N 0.00 -0.16 -0.93 1.57 1.79 0.30 -2.99 116.57 116.13 1ji8 h LYS 57 Ca 0.25 0.01 0.18 0.00 -2.18 0.00 0.00 60.65 58.91 1ji8 h LYS 57 Cb 1.07 0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 31.65 1ji8 h LYS 57 CO -0.00 0.31 0.52 -0.92 -1.08 0.00 0.00 179.45 178.28 1ji8 h TYR 58 N -0.84 0.91 -0.05 -1.35 5.03 -0.77 -1.19 116.97 118.71 1ji8 h TYR 58 Ca -0.02 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1ji8 h TYR 58 Cb 0.55 -0.26 -0.00 0.00 1.55 0.00 0.00 36.73 38.56 1ji8 h TYR 58 CO 0.10 0.19 0.03 1.25 -1.32 0.00 0.00 178.16 178.41 1ji8 h LEU 59 N 0.67 0.05 0.89 2.82 5.85 -1.48 -1.69 115.31 122.43 1ji8 h LEU 59 Ca 0.53 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 59.19 1ji8 h LEU 59 Cb 0.82 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1ji8 h LEU 59 CO -0.39 0.05 -0.48 -0.09 -0.34 0.00 0.00 178.44 177.20 1ji8 h ARG 60 N 0.05 -1.21 -0.70 1.25 1.12 -1.10 -1.72 114.38 112.07 1ji8 h ARG 60 Ca 0.02 0.08 0.20 0.00 -1.11 0.00 0.00 59.98 59.17 1ji8 h ARG 60 Cb 0.01 0.28 -0.03 0.00 -0.01 0.00 0.00 29.97 30.22 1ji8 h ARG 60 CO -0.00 -0.81 0.65 0.93 -3.11 0.00 0.00 179.97 177.63 1ji8 h GLU 61 N -1.26 0.00 -0.01 0.20 5.08 -1.33 0.23 114.58 117.50 1ji8 h GLU 61 Ca -0.12 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.00 1ji8 h GLU 61 Cb 0.98 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.24 1ji8 h GLU 61 CO 0.16 0.00 -0.98 -0.92 -1.00 0.00 0.00 179.01 176.28 1ji8 h TYR 62 N 0.00 0.81 0.00 4.33 3.20 -0.49 -3.13 116.97 121.69 1ji8 h TYR 62 Ca 0.33 -0.44 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 1ji8 h TYR 62 Cb 1.64 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.81 1ji8 h TYR 62 CO 0.00 1.26 -0.06 2.35 -1.64 0.00 0.00 178.16 180.08 1ji8 h TRP 63 N 0.31 0.00 0.78 -3.82 7.01 0.30 -1.65 115.95 118.88 1ji8 h TRP 63 Ca -0.10 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.86 1ji8 h TRP 63 Cb 1.62 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 28.69 1ji8 h TRP 63 CO 0.08 0.06 -0.37 1.49 -2.79 0.00 0.00 178.44 176.90 1ji8 h GLU 64 N 0.00 -1.01 0.18 2.65 4.57 -1.44 -2.60 114.58 116.93 1ji8 h GLU 64 Ca -0.00 0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1ji8 h GLU 64 Cb 0.30 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1ji8 h GLU 64 CO 0.01 -0.66 -0.09 1.15 -1.18 0.00 0.00 179.01 178.25 1ji8 h THR 65 N -1.20 0.24 0.00 0.32 2.02 -1.66 -3.41 112.91 109.21 1ji8 h THR 65 Ca -0.11 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.12 1ji8 h THR 65 Cb 0.81 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1ji8 h THR 65 CO 0.18 0.07 0.00 0.49 0.37 0.00 0.00 175.52 176.63 1ji8 n PHE 66 N -4.93 0.00 0.00 3.16 3.72 -0.63 -4.99 117.46 113.79 1ji8 n PHE 66 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1ji8 n PHE 66 Cb 0.15 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 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 0.53 1.82 3.27 1.37 0.00 -0.98 -4.99 105.19 106.22 1ji8 n GLY 67 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.88 0.00 -0.56 2.61 -1.32 -1.26 -4.53 115.64 108.70 1ji8 s THR 68 Ca 0.00 -1.94 0.04 0.00 -1.21 0.00 0.00 61.69 58.58 1ji8 s THR 68 Cb 0.00 -2.50 0.15 0.00 -1.51 0.00 0.00 72.50 68.65 1ji8 s THR 68 CO 0.00 0.00 0.36 0.00 -2.21 0.00 0.00 174.62 172.77 1ji8 s PRO 70 N -0.59 0.16 0.73 0.00 0.04 -1.26 -5.03 135.00 129.06 1ji8 s PRO 70 Ca 0.22 0.10 -0.11 0.00 0.04 0.00 0.00 61.00 61.26 1ji8 s PRO 70 Cb -0.13 -1.74 0.03 0.00 0.04 0.00 0.00 34.50 32.70 1ji8 s PRO 70 CO -0.09 -2.82 1.07 -1.25 0.04 0.00 0.00 177.00 173.95 1ji8 s PRO 71 N -5.36 2.61 0.00 0.56 0.04 -1.26 -4.93 135.00 126.65 1ji8 s PRO 71 Ca 0.68 1.00 0.28 0.00 0.04 0.00 0.00 61.00 63.01 1ji8 s PRO 71 Cb -0.12 -1.95 1.37 0.00 0.04 0.00 0.00 34.50 33.84 1ji8 s PRO 71 CO 0.55 -1.35 1.96 1.51 0.04 0.00 0.00 177.00 179.71 1ji8 n ILE 72 N -3.30 0.07 0.22 0.56 3.06 -1.26 -3.99 119.36 114.71 1ji8 n ILE 72 Ca 0.08 0.02 -0.13 0.00 -2.50 0.00 0.00 62.75 60.21 1ji8 n ILE 72 Cb 0.54 -0.54 -0.07 0.00 0.54 0.00 0.00 39.64 40.10 1ji8 n ILE 72 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 1ji8 h LYS 73 N 0.00 -0.72 0.00 9.51 3.64 -2.01 -0.78 116.57 126.21 1ji8 h LYS 73 Ca 0.00 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1ji8 h LYS 73 Cb 0.34 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1ji8 h LYS 73 CO 0.00 -0.48 -0.13 0.52 -2.27 0.00 0.00 179.45 177.09 1ji8 h MET 74 N -0.74 0.00 -0.30 1.90 2.86 -1.99 -2.16 114.93 114.50 1ji8 h MET 74 Ca -0.05 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1ji8 h MET 74 Cb 0.64 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 1ji8 h MET 74 CO -0.04 0.13 -0.08 0.28 1.06 0.00 0.00 176.91 178.26 1ji8 h VAL 75 N 0.00 1.21 -0.40 -2.22 2.07 -1.51 -2.28 116.25 113.12 1ji8 h VAL 75 Ca -0.00 -0.91 0.12 0.00 0.82 0.00 0.00 66.70 66.73 1ji8 h VAL 75 Cb 0.29 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1ji8 h VAL 75 CO 0.02 0.30 0.35 0.74 0.02 0.00 0.00 177.57 178.99 1ji8 h THR 76 N 0.45 0.57 -0.65 2.57 2.02 -0.47 0.11 112.91 117.51 1ji8 h THR 76 Ca 0.09 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 1ji8 h THR 76 Cb 0.42 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1ji8 h THR 76 CO 0.02 0.00 0.10 0.11 0.37 0.00 0.00 175.52 176.12 1ji8 h LYS 77 N 0.00 1.07 0.00 6.66 1.57 -1.55 -0.54 116.57 123.78 1ji8 h LYS 77 Ca 0.19 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1ji8 h LYS 77 Cb 0.88 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1ji8 h LYS 77 CO -0.00 0.98 0.00 -1.91 -0.57 0.00 0.00 179.45 177.95 1ji8 n GLU 78 N -4.22 0.00 -0.34 3.15 4.07 -0.06 -4.24 120.64 118.99 1ji8 n GLU 78 Ca 0.04 0.34 0.22 0.00 -0.06 0.00 0.00 57.16 57.71 1ji8 n GLU 78 Cb 0.29 -0.84 0.46 0.00 -0.06 0.00 0.00 31.44 31.28 1ji8 n GLU 78 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 1ji8 h THR 79 N 0.00 0.42 0.00 6.31 1.35 -1.46 -3.44 112.91 116.09 1ji8 h THR 79 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1ji8 h THR 79 Cb 0.00 -0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.38 1ji8 h THR 79 CO 0.00 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1ji8 n GLY 80 N -1.35 0.45 3.30 5.82 0.00 -0.21 -5.00 105.19 108.21 1ji8 n GLY 80 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.69 -1.77 -4.42 1.61 3.01 -1.26 -5.01 117.46 106.93 1ji8 n PHE 81 Ca 0.00 -0.10 -0.30 0.00 1.01 0.00 0.00 57.45 58.06 1ji8 n PHE 81 Cb 0.09 -1.56 -0.11 0.00 -0.01 0.00 0.00 39.48 37.89 1ji8 n PHE 81 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1ji8 s SER 82 N -2.16 4.19 0.54 4.37 0.01 -1.26 -4.97 113.70 114.42 1ji8 s SER 82 Ca 0.60 -0.37 0.22 0.00 1.31 0.00 0.00 55.95 57.71 1ji8 s SER 82 Cb -0.16 -0.78 1.48 0.00 0.21 0.00 0.00 66.02 66.77 1ji8 s SER 82 CO 0.62 0.22 2.18 0.25 0.41 0.00 0.00 173.24 176.92 1ji8 h LEU 83 N 4.11 0.00 -0.35 2.44 5.85 -2.00 -2.40 115.31 122.95 1ji8 h LEU 83 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1ji8 h LEU 83 Cb 1.16 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 1ji8 h LEU 83 CO 0.50 0.02 0.22 -0.08 -0.34 0.00 0.00 178.44 178.76 1ji8 h GLU 84 N 0.00 0.47 0.83 1.25 4.81 -1.99 -1.84 114.58 118.11 1ji8 h GLU 84 Ca -0.00 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1ji8 h GLU 84 Cb 0.04 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.32 1ji8 h GLU 84 CO 0.00 0.33 -0.40 0.87 -0.73 0.00 0.00 179.01 179.09 1ji8 h LYS 85 N 0.47 -1.07 -1.21 1.92 1.57 -1.85 -1.12 116.57 115.27 1ji8 h LYS 85 Ca 0.13 0.07 0.35 0.00 -1.87 0.00 0.00 60.65 59.33 1ji8 h LYS 85 Cb -0.02 0.24 -0.08 0.00 0.08 0.00 0.00 32.23 32.45 1ji8 h LYS 85 CO -0.03 -0.71 0.83 0.82 -0.57 0.00 0.00 179.45 179.79 1ji8 h ILE 86 N -1.30 0.38 0.04 1.86 2.04 -1.52 0.41 117.51 119.42 1ji8 h ILE 86 Ca -0.11 -0.05 -0.25 0.00 1.00 0.00 0.00 64.86 65.45 1ji8 h ILE 86 Cb 0.85 0.22 0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1ji8 h ILE 86 CO 0.19 0.03 -1.05 0.22 0.00 0.00 0.00 178.15 177.53 1ji8 h TYR 87 N 0.15 0.66 0.00 1.37 5.03 -1.04 -1.90 116.97 121.22 1ji8 h TYR 87 Ca 0.64 -0.39 -0.04 0.00 2.58 0.00 0.00 58.73 61.52 1ji8 h TYR 87 Cb 2.16 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 40.37 1ji8 h TYR 87 CO -0.00 1.23 -0.19 1.96 -1.32 0.00 0.00 178.16 179.84 1ji8 h GLN 88 N 0.21 0.00 0.00 1.82 4.20 0.11 -3.26 115.11 118.19 1ji8 h GLN 88 Ca -0.11 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.36 1ji8 h GLN 88 Cb 1.71 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.45 1ji8 h GLN 88 CO 0.18 0.19 -1.31 1.28 -0.67 0.00 0.00 178.83 178.50 1ji8 n LEU 89 N -3.50 1.86 -4.99 1.46 4.77 -0.68 -4.96 117.00 110.96 1ji8 n LEU 89 Ca -0.01 0.42 -0.19 0.00 -0.03 0.00 0.00 56.01 56.20 1ji8 n LEU 89 Cb 0.35 -0.96 0.01 0.00 -2.33 0.00 0.00 43.42 40.49 1ji8 n LEU 89 CO 0.32 0.29 0.15 -0.36 -1.33 0.00 0.00 177.39 176.46 1ji8 s PHE 90 N -2.37 3.00 0.00 -1.77 0.40 -0.72 -5.09 117.98 111.44 1ji8 s PHE 90 Ca -0.29 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 1ji8 s PHE 90 Cb 0.06 -2.24 0.00 0.00 0.51 0.00 0.00 43.02 41.35 1ji8 s PHE 90 CO 0.59 -0.28 0.01 -0.35 0.70 0.00 0.00 175.22 175.88 1ji8 n PRO 91 N -1.84 0.00 -3.47 0.24 -0.04 -1.26 -4.60 135.00 124.02 1ji8 n PRO 91 Ca 0.04 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.07 1ji8 n PRO 91 Cb 0.58 -0.16 -0.04 0.00 -0.04 0.00 0.00 33.50 33.85 1ji8 n PRO 91 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ji8 s SER 92 N -1.27 6.43 0.54 3.54 0.15 -1.26 -4.92 113.70 116.91 1ji8 s SER 92 Ca 0.00 -3.16 0.00 0.00 0.70 0.00 0.00 55.95 53.49 1ji8 s SER 92 Cb 0.00 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 1ji8 s SER 92 CO 0.00 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1ji8 n GLY 93 N 3.23 -4.69 0.00 9.45 0.00 -1.26 -4.94 105.19 106.98 1ji8 n GLY 93 Ca 0.17 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.88 0.00 0.00 1.61 -0.04 -1.26 -4.84 135.00 129.59 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 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.29 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 -0.21 0.55 0.00 -1.26 -2.08 120.51 114.51 1ji8 n ALA 95 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.73 1ji8 n ALA 95 Cb 0.00 0.00 0.52 0.00 0.00 0.00 0.00 19.45 19.97 1ji8 n ALA 95 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1ji8 h HIS 96 N 0.00 0.00 0.00 0.00 2.07 -1.98 -2.02 115.15 113.23 1ji8 h HIS 96 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1ji8 h HIS 96 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1ji8 h HIS 96 CO 0.00 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 175.27 1ji8 n GLY 97 N -1.70 -1.63 0.33 6.13 0.00 -0.89 -1.39 105.19 106.05 1ji8 n GLY 97 Ca 0.23 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.33 1ji8 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ji8 h ALA 98 N -2.00 0.87 -0.66 4.61 0.00 -1.56 0.46 119.26 120.98 1ji8 h ALA 98 Ca 0.00 0.33 0.05 0.00 0.00 0.00 0.00 54.91 55.29 1ji8 h ALA 98 Cb 0.00 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1ji8 h ALA 98 CO 0.00 -0.47 0.37 0.00 0.00 0.00 0.00 179.25 179.15 1ji8 h LYS 100 N 0.69 -1.05 -0.94 0.00 3.64 0.11 -2.39 116.57 116.64 1ji8 h LYS 100 Ca 0.29 0.07 0.25 0.00 -1.27 0.00 0.00 60.65 59.99 1ji8 h LYS 100 Cb 0.16 0.24 -0.13 0.00 -0.41 0.00 0.00 32.23 32.09 1ji8 h LYS 100 CO -0.17 -0.69 0.43 0.28 -2.27 0.00 0.00 179.45 177.03 1ji8 h VAL 101 N -1.12 0.41 0.30 2.00 2.07 -1.19 -0.42 116.25 118.30 1ji8 h VAL 101 Ca -0.11 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1ji8 h VAL 101 Cb 0.84 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1ji8 h VAL 101 CO 0.18 0.07 -0.17 0.00 0.02 0.00 0.00 177.57 177.67 1ji8 h ALA 102 N 1.76 -0.43 -1.72 1.67 0.00 -1.10 -3.47 119.26 115.98 1ji8 h ALA 102 Ca 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1ji8 h ALA 102 Cb 1.25 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1ji8 h ALA 102 CO -0.57 -0.75 0.00 0.41 0.00 0.00 0.00 179.25 178.35 1ji8 n GLY 103 N -1.29 0.56 3.64 0.00 0.00 -0.17 -5.01 105.19 102.91 1ji8 n GLY 103 Ca -0.10 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.60 3.60 0.30 4.61 0.00 -1.26 -4.85 121.76 121.57 1ji8 s ALA 104 Ca 0.00 -0.35 -0.29 0.00 0.00 0.00 0.00 51.96 51.32 1ji8 s ALA 104 Cb 0.00 -3.06 -0.10 0.00 0.00 0.00 0.00 23.12 19.97 1ji8 s ALA 104 CO 0.00 -0.77 1.15 -1.25 0.00 0.00 0.00 175.76 174.90 1ji8 s PRO 105 N 2.41 4.54 0.27 0.00 0.04 -1.26 -5.02 135.00 135.98 1ji8 s PRO 105 Ca 0.28 1.90 -0.16 0.00 0.04 0.00 0.00 61.00 63.06 1ji8 s PRO 105 Cb -0.16 -3.13 -0.09 0.00 0.04 0.00 0.00 34.50 31.17 1ji8 s PRO 105 CO 0.09 0.08 0.71 0.15 0.04 0.00 0.00 177.00 178.07 1ji8 s LYS 106 N -1.59 4.07 -0.05 4.56 1.02 -1.26 -4.95 119.74 121.54 1ji8 s LYS 106 Ca 0.46 0.70 -0.14 0.00 0.02 0.00 0.00 55.97 57.02 1ji8 s LYS 106 Cb -0.34 -2.62 -0.08 0.00 -0.52 0.00 0.00 37.83 34.27 1ji8 s LYS 106 CO 0.44 0.26 0.56 -1.00 -0.92 0.00 0.00 175.35 174.69 1ji8 h PRO 107 N 2.73 -0.39 -7.38 -1.68 0.13 -1.96 -3.46 132.00 120.00 1ji8 h PRO 107 Ca -0.48 0.03 -0.43 0.00 -0.87 0.00 0.00 66.00 64.24 1ji8 h PRO 107 Cb 1.18 0.09 0.17 0.00 0.13 0.00 0.00 31.00 32.58 1ji8 h PRO 107 CO 0.66 -0.20 0.16 0.95 -0.23 0.00 0.00 178.00 179.34 1ji8 s THR 108 N -3.04 1.82 -0.30 1.56 -4.23 -1.26 -5.07 115.64 105.12 1ji8 s THR 108 Ca -0.07 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.29 1ji8 s THR 108 Cb 0.01 -2.49 0.17 0.00 1.34 0.00 0.00 72.50 71.53 1ji8 s THR 108 CO 0.24 0.00 1.04 -0.83 -0.54 0.00 0.00 174.62 174.53 1ji8 s GLY 109 N -3.67 -0.17 -0.39 3.99 0.00 -1.26 -5.12 107.32 100.70 1ji8 s GLY 109 Ca 0.68 3.05 0.04 0.00 0.00 0.00 0.00 44.72 48.49 1ji8 s GLY 109 CO 0.57 3.41 0.43 0.00 0.00 0.00 0.00 173.10 177.50