#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 3.58 -0.03 2.12 0.04 -1.26 -4.98 135.00 134.47 1ji8 s PRO 2 Ca 0.00 1.40 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 1ji8 s PRO 2 Cb 0.00 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1ji8 s PRO 2 CO 0.00 -0.62 1.29 0.08 0.04 0.00 0.00 177.00 177.79 1ji8 s VAL 3 N -2.01 4.02 -1.19 -0.36 1.01 -1.26 -4.93 120.40 115.67 1ji8 s VAL 3 Ca 0.68 1.37 -0.19 0.00 0.00 0.00 0.00 61.98 63.84 1ji8 s VAL 3 Cb -0.18 -3.88 0.08 0.00 0.00 0.00 0.00 36.38 32.40 1ji8 s VAL 3 CO 0.25 -0.00 1.59 -0.54 0.00 0.00 0.00 175.10 176.40 1ji8 s LYS 4 N 2.31 3.86 0.47 2.72 1.02 -1.26 -4.95 119.74 123.91 1ji8 s LYS 4 Ca 0.59 -1.79 -0.14 0.00 0.02 0.00 0.00 55.97 54.65 1ji8 s LYS 4 Cb -0.28 -5.41 -0.07 0.00 -0.52 0.00 0.00 37.83 31.55 1ji8 s LYS 4 CO 0.24 -2.17 0.90 0.00 -0.92 0.00 0.00 175.35 173.40 1ji8 s PRO 6 N -3.96 2.16 -0.22 0.00 0.04 -1.22 -4.81 135.00 126.99 1ji8 s PRO 6 Ca 0.56 0.61 -0.36 0.00 0.04 0.00 0.00 61.00 61.84 1ji8 s PRO 6 Cb -0.10 -1.93 0.15 0.00 0.04 0.00 0.00 34.50 32.66 1ji8 s PRO 6 CO 0.31 -1.56 1.29 0.20 0.04 0.00 0.00 177.00 177.28 1ji8 s GLY 7 N -3.97 -0.27 0.11 0.56 0.00 -0.81 -4.96 107.32 97.98 1ji8 s GLY 7 Ca 0.61 1.67 0.03 0.00 0.00 0.00 0.00 44.72 47.02 1ji8 s GLY 7 CO 0.54 0.54 0.13 -0.54 0.00 0.00 0.00 173.10 173.78 1ji8 s GLU 8 N -2.25 3.01 -0.10 2.90 2.02 -1.26 -1.39 118.70 121.63 1ji8 s GLU 8 Ca 0.11 -0.71 -0.18 0.00 0.02 0.00 0.00 54.97 54.21 1ji8 s GLU 8 Cb -0.00 -2.76 0.04 0.00 0.10 0.00 0.00 34.13 31.50 1ji8 s GLU 8 CO -0.04 0.54 0.44 0.71 0.02 0.00 0.00 175.26 176.93 1ji8 s TYR 9 N -1.55 -0.41 -0.18 1.61 2.02 -0.82 -4.98 117.35 113.02 1ji8 s TYR 9 Ca 0.31 0.88 -0.09 0.00 -0.37 0.00 0.00 57.07 57.80 1ji8 s TYR 9 Cb -0.11 0.18 -0.05 0.00 -0.40 0.00 0.00 41.96 41.58 1ji8 s TYR 9 CO 0.24 -0.34 0.13 -0.65 -1.57 0.00 0.00 175.55 173.35 1ji8 s GLN 10 N -0.49 4.01 -0.22 -0.62 -0.21 -1.26 -1.83 119.66 119.04 1ji8 s GLN 10 Ca -0.06 -0.21 -0.01 0.00 0.02 0.00 0.00 55.36 55.10 1ji8 s GLN 10 Cb -0.03 -3.36 0.06 0.00 1.00 0.00 0.00 33.01 30.68 1ji8 s GLN 10 CO 0.03 0.41 -0.01 0.08 -2.12 0.00 0.00 175.29 173.68 1ji8 s VAL 11 N 0.05 1.07 -1.46 1.09 1.01 -1.04 -4.76 120.40 116.36 1ji8 s VAL 11 Ca 0.09 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1ji8 s VAL 11 Cb -0.11 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1ji8 s VAL 11 CO -0.01 -0.16 0.00 -0.67 0.00 0.00 0.00 175.10 174.27 1ji8 n ASP 12 N 4.84 -4.88 0.00 3.32 -0.08 -1.26 -1.41 116.55 117.09 1ji8 n ASP 12 Ca -0.10 0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 1ji8 n ASP 12 Cb 0.45 -3.96 0.00 0.00 2.34 0.00 0.00 41.12 39.96 1ji8 n ASP 12 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ji8 n GLY 13 N -1.01 0.70 4.01 0.27 0.00 -1.26 -5.04 105.19 102.85 1ji8 n GLY 13 Ca -0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.28 2.71 -0.17 1.61 1.02 -0.50 -5.10 119.74 119.03 1ji8 s LYS 14 Ca 0.00 -1.22 -0.01 0.00 0.02 0.00 0.00 55.97 54.76 1ji8 s LYS 14 Cb 0.00 -2.70 -0.00 0.00 -0.52 0.00 0.00 37.83 34.60 1ji8 s LYS 14 CO 0.00 -0.41 -0.13 0.21 -0.92 0.00 0.00 175.35 174.10 1ji8 s LYS 15 N -4.45 3.25 -0.03 1.68 2.47 -1.26 -2.49 119.74 118.91 1ji8 s LYS 15 Ca 0.56 -0.72 0.06 0.00 -1.56 0.00 0.00 55.97 54.32 1ji8 s LYS 15 Cb -0.09 -2.73 -0.01 0.00 -1.46 0.00 0.00 37.83 33.54 1ji8 s LYS 15 CO 0.35 -0.05 -0.21 0.08 0.16 0.00 0.00 175.35 175.67 1ji8 s VAL 16 N 1.01 1.70 -0.34 4.02 1.01 -0.76 -4.99 120.40 122.05 1ji8 s VAL 16 Ca -0.01 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.10 1ji8 s VAL 16 Cb -0.15 -1.43 0.10 0.00 0.00 0.00 0.00 36.38 34.91 1ji8 s VAL 16 CO -0.02 0.48 0.05 -0.63 0.00 0.00 0.00 175.10 174.98 1ji8 s ILE 17 N -0.33 2.20 -0.20 2.22 1.01 -1.26 -1.95 121.20 122.89 1ji8 s ILE 17 Ca 0.04 -2.30 -0.29 0.00 0.00 0.00 0.00 60.65 58.10 1ji8 s ILE 17 Cb -0.10 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 1ji8 s ILE 17 CO 0.01 -0.60 1.32 -0.76 0.00 0.00 0.00 174.94 174.90 1ji8 s LEU 18 N 0.94 4.09 0.00 2.97 1.43 -0.48 -2.10 118.68 125.53 1ji8 s LEU 18 Ca 0.11 1.60 -0.07 0.00 -1.03 0.00 0.00 54.13 54.73 1ji8 s LEU 18 Cb -0.19 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.61 1ji8 s LEU 18 CO -0.09 -0.89 0.26 0.47 0.23 0.00 0.00 176.35 176.33 1ji8 n ASP 19 N 7.03 -2.63 0.11 2.29 9.92 -0.74 -1.93 116.55 130.60 1ji8 n ASP 19 Ca 0.15 -0.26 0.09 0.00 -0.53 0.00 0.00 54.79 54.23 1ji8 n ASP 19 Cb 0.45 -0.29 0.43 0.00 -0.64 0.00 0.00 41.12 41.07 1ji8 n ASP 19 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1ji8 n GLU 20 N -3.09 0.11 -2.12 -1.24 2.13 -1.26 -2.09 120.64 113.07 1ji8 n GLU 20 Ca 0.04 0.56 -0.26 0.00 0.66 0.00 0.00 57.16 58.16 1ji8 n GLU 20 Cb 0.18 -1.82 0.02 0.00 0.27 0.00 0.00 31.44 30.08 1ji8 n GLU 20 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1ji8 n ASP 21 N -2.05 5.06 -3.29 4.31 -0.08 -1.26 -4.12 116.55 115.11 1ji8 n ASP 21 Ca -0.00 -3.74 -0.19 0.00 -1.51 0.00 0.00 54.79 49.34 1ji8 n ASP 21 Cb 0.06 -0.42 -0.02 0.00 2.34 0.00 0.00 41.12 43.07 1ji8 n ASP 21 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ji8 s PHE 23 N -2.63 3.19 0.17 0.00 2.19 -1.26 -4.78 117.98 114.86 1ji8 s PHE 23 Ca 0.34 -0.45 -0.31 0.00 0.33 0.00 0.00 56.93 56.84 1ji8 s PHE 23 Cb -0.19 -2.39 -0.17 0.00 -1.31 0.00 0.00 43.02 38.96 1ji8 s PHE 23 CO 0.41 -0.42 0.73 -0.12 1.83 0.00 0.00 175.22 177.66 1ji8 n MET 24 N 5.02 0.26 -0.43 10.12 0.00 -1.26 -1.80 117.12 129.02 1ji8 n MET 24 Ca -0.14 0.09 0.08 0.00 -0.00 0.00 0.00 57.70 57.73 1ji8 n MET 24 Cb 0.49 -1.27 0.25 0.00 0.00 0.00 0.00 33.22 32.70 1ji8 n MET 24 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1ji8 n GLN 25 N 1.13 3.13 -3.27 2.12 7.27 -0.89 -4.70 117.38 122.17 1ji8 n GLN 25 Ca 0.17 -2.69 -0.26 0.00 0.07 0.00 0.00 57.00 54.29 1ji8 n GLN 25 Cb 0.23 -1.75 -0.07 0.00 2.41 0.00 0.00 30.24 31.06 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 -0.06 3.21 0.00 1.69 2.85 -1.26 -4.85 115.26 116.84 1ji8 n ASN 26 Ca 0.20 -3.36 0.10 0.00 -0.11 0.00 0.00 54.58 51.41 1ji8 n ASN 26 Cb 0.81 -0.64 0.49 0.00 1.24 0.00 0.00 39.78 41.68 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 0.66 0.23 0.08 1.20 -0.04 -1.26 -2.95 135.00 132.92 1ji8 n PRO 27 Ca 0.29 0.11 -0.10 0.00 -0.04 0.00 0.00 63.50 63.75 1ji8 n PRO 27 Cb 0.44 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.20 0.00 0.54 4.81 -1.99 -3.42 114.58 114.72 1ji8 h GLU 28 Ca 0.00 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1ji8 h GLU 28 Cb 0.22 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1ji8 h GLU 28 CO 0.00 1.01 0.00 -0.25 -0.73 0.00 0.00 179.01 179.04 1ji8 n ASP 29 N -3.61 0.00 -2.12 1.04 8.00 -1.15 -5.09 116.55 113.62 1ji8 n ASP 29 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1ji8 n ASP 29 Cb 0.86 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.96 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 -1.12 -5.10 -4.38 1.24 -0.00 -1.22 -5.06 117.44 101.81 1ji8 n TRP 30 Ca 0.00 3.06 -0.22 0.00 -0.00 0.00 0.00 57.50 60.34 1ji8 n TRP 30 Cb 0.00 -3.70 -0.08 0.00 -0.00 0.00 0.00 31.31 27.53 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 -0.58 2.11 0.01 5.87 -1.08 -1.26 -5.04 116.67 116.70 1ji8 s ASP 31 Ca 0.00 -1.71 -0.16 0.00 -0.52 0.00 0.00 52.55 50.16 1ji8 s ASP 31 Cb 0.00 0.54 -0.09 0.00 -1.46 0.00 0.00 42.92 41.91 1ji8 s ASP 31 CO 0.00 -1.00 0.95 -0.08 0.52 0.00 0.00 175.17 175.56 1ji8 h GLU 32 N 2.00 -0.54 -1.18 4.34 4.22 -2.00 -2.27 114.58 119.15 1ji8 h GLU 32 Ca -0.30 0.04 0.34 0.00 0.08 0.00 0.00 59.36 59.52 1ji8 h GLU 32 Cb 1.25 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.58 1ji8 h GLU 32 CO 0.46 -0.36 0.88 -0.22 -2.18 0.00 0.00 179.01 177.59 1ji8 h LYS 33 N -0.72 0.00 0.41 1.92 3.11 -1.99 -1.62 116.57 117.68 1ji8 h LYS 33 Ca -0.06 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.76 1ji8 h LYS 33 Cb 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.66 1ji8 h LYS 33 CO 0.09 0.00 -0.19 0.28 -2.81 0.00 0.00 179.45 176.82 1ji8 h VAL 34 N 0.00 0.00 -0.89 2.00 2.07 -1.92 -1.67 116.25 115.84 1ji8 h VAL 34 Ca 0.56 -0.35 0.20 0.00 0.82 0.00 0.00 66.70 67.93 1ji8 h VAL 34 Cb 2.32 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.97 1ji8 h VAL 34 CO -0.01 0.00 0.41 0.00 0.02 0.00 0.00 177.57 177.99 1ji8 h ALA 35 N -1.40 1.41 -0.39 1.67 0.00 -0.72 0.23 119.26 120.06 1ji8 h ALA 35 Ca -0.06 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1ji8 h ALA 35 Cb 0.42 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1ji8 h ALA 35 CO 0.09 -0.28 -0.07 1.49 0.00 0.00 0.00 179.25 180.48 1ji8 h GLU 36 N 0.46 0.65 -0.52 0.00 4.22 -1.41 -2.36 114.58 115.61 1ji8 h GLU 36 Ca 0.54 -0.19 -0.06 0.00 0.08 0.00 0.00 59.36 59.73 1ji8 h GLU 36 Cb 0.97 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1ji8 h GLU 36 CO -0.49 0.72 0.09 2.35 -2.18 0.00 0.00 179.01 179.50 1ji8 h TRP 37 N 0.61 0.91 0.42 0.92 7.01 0.43 -1.75 115.95 124.49 1ji8 h TRP 37 Ca 0.11 -0.13 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 1ji8 h TRP 37 Cb 0.49 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.30 1ji8 h TRP 37 CO 0.02 0.82 -0.20 1.25 -2.79 0.00 0.00 178.44 177.54 1ji8 h LEU 38 N 0.74 -0.47 -1.85 0.65 6.46 -1.18 -1.67 115.31 117.99 1ji8 h LEU 38 Ca 0.16 -0.11 0.14 0.00 -0.12 0.00 0.00 57.88 57.95 1ji8 h LEU 38 Cb 0.40 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.42 1ji8 h LEU 38 CO 0.01 -0.12 0.40 0.00 -0.62 0.00 0.00 178.44 178.12 1ji8 h ALA 39 N -0.48 2.33 -0.06 1.25 0.00 -1.46 -0.46 119.26 120.38 1ji8 h ALA 39 Ca -0.06 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 1ji8 h ALA 39 Cb 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ji8 h ALA 39 CO 0.09 -0.48 -0.83 -0.09 0.00 0.00 0.00 179.25 177.94 1ji8 h ARG 40 N 0.16 0.50 0.00 0.00 1.12 -1.16 -2.26 114.38 112.74 1ji8 h ARG 40 Ca 0.28 -0.46 -0.09 0.00 -1.11 0.00 0.00 59.98 58.60 1ji8 h ARG 40 Cb 0.88 0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.94 1ji8 h ARG 40 CO -0.04 1.09 -0.44 0.93 -3.11 0.00 0.00 179.97 178.41 1ji8 h GLU 41 N 0.32 0.00 0.18 0.20 5.08 -0.15 -2.68 114.58 117.53 1ji8 h GLU 41 Ca -0.06 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.05 1ji8 h GLU 41 Cb 1.44 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.72 1ji8 h GLU 41 CO 0.15 0.44 -1.16 -0.07 -1.00 0.00 0.00 179.01 177.37 1ji8 h LEU 42 N 0.00 0.58 0.00 1.33 4.07 -1.26 -3.45 115.31 116.58 1ji8 h LEU 42 Ca -0.00 -0.93 0.00 0.00 0.08 0.00 0.00 57.88 57.03 1ji8 h LEU 42 Cb 0.96 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.51 1ji8 h LEU 42 CO 0.06 1.55 0.00 -0.62 -1.08 0.00 0.00 178.44 178.34 1ji8 n GLU 43 N -3.94 0.00 0.00 1.13 4.71 -0.85 -5.08 120.64 116.60 1ji8 n GLU 43 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.98 1ji8 n GLU 43 Cb 0.94 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.37 1ji8 n GLU 43 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ji8 n GLY 44 N 3.52 0.00 3.56 0.62 0.00 -1.01 -5.00 105.19 106.88 1ji8 n GLY 44 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.73 0.54 -0.61 1.01 -1.26 -4.79 121.20 119.82 1ji8 s ILE 45 Ca 0.00 -0.74 0.41 0.00 0.00 0.00 0.00 60.65 60.32 1ji8 s ILE 45 Cb 0.00 -4.63 0.61 0.00 0.01 0.00 0.00 42.46 38.45 1ji8 s ILE 45 CO 0.00 -1.49 1.73 -0.61 0.00 0.00 0.00 174.94 174.57 1ji8 h GLN 46 N 10.14 0.01 -2.42 2.79 4.15 -1.98 -3.39 115.11 124.41 1ji8 h GLN 46 Ca 0.19 -0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.54 1ji8 h GLN 46 Cb 0.99 -0.00 -0.24 0.00 0.21 0.00 0.00 27.48 28.43 1ji8 h GLN 46 CO 1.33 0.01 -0.18 0.15 -1.93 0.00 0.00 178.83 178.21 1ji8 s LYS 47 N -4.94 0.51 0.19 1.69 1.02 -1.26 -5.13 119.74 111.83 1ji8 s LYS 47 Ca -0.05 0.93 -0.33 0.00 0.02 0.00 0.00 55.97 56.54 1ji8 s LYS 47 Cb 0.24 0.06 -0.13 0.00 -0.52 0.00 0.00 37.83 37.48 1ji8 s LYS 47 CO 0.84 -0.15 1.65 -1.33 -0.92 0.00 0.00 175.35 175.44 1ji8 n MET 48 N 4.15 2.50 -2.56 1.68 2.81 -1.26 -4.97 117.12 119.47 1ji8 n MET 48 Ca -0.21 0.90 -0.28 0.00 -1.81 0.00 0.00 57.70 56.30 1ji8 n MET 48 Cb 0.57 -2.71 0.00 0.00 -0.71 0.00 0.00 33.22 30.37 1ji8 n MET 48 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1ji8 s THR 49 N 0.99 4.88 0.26 2.03 -1.32 -1.26 -4.96 115.64 116.26 1ji8 s THR 49 Ca 0.76 0.27 -0.04 0.00 -1.21 0.00 0.00 61.69 61.47 1ji8 s THR 49 Cb -0.58 -3.86 0.25 0.00 -1.51 0.00 0.00 72.50 66.80 1ji8 s THR 49 CO 0.36 -0.88 1.88 -0.33 -2.21 0.00 0.00 174.62 173.44 1ji8 h GLU 50 N 0.17 1.13 -0.77 7.08 5.08 -2.00 -1.62 114.58 123.64 1ji8 h GLU 50 Ca -0.47 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 57.88 1ji8 h GLU 50 Cb 1.20 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 30.15 1ji8 h GLU 50 CO 0.62 0.75 0.51 0.93 -1.00 0.00 0.00 179.01 180.81 1ji8 h GLU 51 N 1.16 0.83 0.47 2.33 5.08 -1.99 -0.92 114.58 121.54 1ji8 h GLU 51 Ca 0.41 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1ji8 h GLU 51 Cb 0.11 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1ji8 h GLU 51 CO -0.16 0.55 -0.22 0.45 -1.00 0.00 0.00 179.01 178.63 1ji8 h HIS 52 N 0.86 -0.58 -0.34 4.33 3.86 -1.67 -2.32 115.15 119.29 1ji8 h HIS 52 Ca 0.32 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.62 1ji8 h HIS 52 Cb 0.19 0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 1ji8 h HIS 52 CO -0.00 -0.36 0.34 -1.49 0.86 0.00 0.00 177.93 177.27 1ji8 h TRP 53 N -0.73 0.00 0.18 2.45 -0.00 -1.44 -1.96 115.95 114.45 1ji8 h TRP 53 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.82 1ji8 h TRP 53 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.64 1ji8 h TRP 53 CO 0.08 0.00 -0.08 -0.22 -0.00 0.00 0.00 178.44 178.22 1ji8 h LYS 54 N 0.00 -0.23 -0.68 0.49 1.63 -0.95 -1.63 116.57 115.20 1ji8 h LYS 54 Ca 0.16 0.02 0.13 0.00 -0.85 0.00 0.00 60.65 60.11 1ji8 h LYS 54 Cb 0.83 0.05 -0.10 0.00 -0.60 0.00 0.00 32.23 32.42 1ji8 h LYS 54 CO -0.00 -0.15 0.18 1.25 -3.45 0.00 0.00 179.45 177.28 1ji8 h LEU 55 N -0.33 0.07 -0.42 5.20 5.85 -1.20 -0.75 115.31 123.73 1ji8 h LEU 55 Ca -0.02 0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.89 1ji8 h LEU 55 Cb 0.18 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 1ji8 h LEU 55 CO 0.04 0.02 0.05 0.58 -0.34 0.00 0.00 178.44 178.79 1ji8 h VAL 56 N 0.31 0.75 -0.64 1.05 2.07 -1.41 -1.50 116.25 116.88 1ji8 h VAL 56 Ca 0.37 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.91 1ji8 h VAL 56 Cb 0.58 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1ji8 h VAL 56 CO -0.44 0.03 0.29 0.50 0.02 0.00 0.00 177.57 177.98 1ji8 h LYS 57 N 0.18 0.50 0.53 1.57 3.64 -0.13 -1.75 116.57 121.11 1ji8 h LYS 57 Ca 0.20 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1ji8 h LYS 57 Cb 0.27 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1ji8 h LYS 57 CO -0.29 0.33 -0.41 -0.92 -2.27 0.00 0.00 179.45 175.88 1ji8 h TYR 58 N 0.51 -1.12 -0.89 1.91 5.03 -0.80 -1.84 116.97 119.77 1ji8 h TYR 58 Ca 0.31 -0.00 0.22 0.00 2.58 0.00 0.00 58.73 61.84 1ji8 h TYR 58 Cb 0.33 0.42 -0.06 0.00 1.55 0.00 0.00 36.73 38.97 1ji8 h TYR 58 CO -0.13 -0.59 0.61 -0.07 -1.32 0.00 0.00 178.16 176.65 1ji8 h LEU 59 N -0.93 0.28 0.09 2.82 3.38 -1.06 -1.91 115.31 117.97 1ji8 h LEU 59 Ca -0.06 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1ji8 h LEU 59 Cb 0.79 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1ji8 h LEU 59 CO 0.00 0.10 -0.35 -0.09 0.09 0.00 0.00 178.44 178.19 1ji8 h ARG 60 N 0.27 -0.54 -1.10 1.13 2.43 -0.44 -0.86 114.38 115.27 1ji8 h ARG 60 Ca 0.46 0.04 0.32 0.00 -0.81 0.00 0.00 59.98 59.98 1ji8 h ARG 60 Cb 1.34 0.12 -0.12 0.00 -0.42 0.00 0.00 29.97 30.90 1ji8 h ARG 60 CO -0.13 -0.36 0.69 0.93 -1.51 0.00 0.00 179.97 179.59 1ji8 h GLU 61 N -0.56 0.31 -0.18 0.20 4.39 -1.27 0.40 114.58 117.87 1ji8 h GLU 61 Ca 0.04 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.54 1ji8 h GLU 61 Cb 0.61 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1ji8 h GLU 61 CO -0.23 0.21 -0.60 -0.92 -1.16 0.00 0.00 179.01 176.30 1ji8 h TYR 62 N 0.32 0.76 0.00 4.33 5.03 -1.24 -2.64 116.97 123.54 1ji8 h TYR 62 Ca 0.68 -0.29 0.00 0.00 2.58 0.00 0.00 58.73 61.70 1ji8 h TYR 62 Cb 1.77 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 39.92 1ji8 h TYR 62 CO -0.00 1.05 0.00 1.87 -1.32 0.00 0.00 178.16 179.75 1ji8 n TRP 63 N -3.94 0.00 -0.03 -3.82 -0.00 0.14 -1.45 117.44 108.34 1ji8 n TRP 63 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 57.46 1ji8 n TRP 63 Cb 0.64 -0.17 -0.09 0.00 -0.00 0.00 0.00 31.31 31.69 1ji8 n TRP 63 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 1ji8 n GLU 64 N -1.17 1.38 -0.00 5.87 2.13 -0.98 -4.33 120.64 123.54 1ji8 n GLU 64 Ca 0.09 -0.05 -0.00 0.00 0.66 0.00 0.00 57.16 57.86 1ji8 n GLU 64 Cb 0.10 -1.29 -0.00 0.00 0.27 0.00 0.00 31.44 30.52 1ji8 n GLU 64 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1ji8 h THR 65 N 0.00 0.00 0.03 6.31 2.02 -1.23 -3.44 112.91 116.60 1ji8 h THR 65 Ca -0.17 -0.05 -0.35 0.00 0.77 0.00 0.00 66.41 66.61 1ji8 h THR 65 Cb 1.19 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 1ji8 h THR 65 CO 0.01 0.00 -1.95 0.49 0.37 0.00 0.00 175.52 174.44 1ji8 n PHE 66 N -2.33 0.69 -0.83 3.16 3.72 -1.10 -5.06 117.46 115.72 1ji8 n PHE 66 Ca -0.00 0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.62 1ji8 n PHE 66 Cb 0.01 -1.08 0.00 0.00 -0.94 0.00 0.00 39.48 37.47 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 1.68 0.30 3.30 1.37 0.00 -0.53 -5.02 105.19 106.30 1ji8 n GLY 67 Ca -0.39 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 1ji8 n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ji8 s THR 68 N -2.55 0.09 -0.80 2.61 2.01 -1.26 -5.01 115.64 110.73 1ji8 s THR 68 Ca 0.00 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.09 1ji8 s THR 68 Cb 0.00 -1.34 0.20 0.00 0.01 0.00 0.00 72.50 71.36 1ji8 s THR 68 CO 0.00 -0.40 0.66 0.00 -0.69 0.00 0.00 174.62 174.19 1ji8 s PRO 70 N -0.84 0.53 0.00 0.00 0.04 -1.26 -4.97 135.00 128.51 1ji8 s PRO 70 Ca 0.23 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1ji8 s PRO 70 Cb -0.12 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1ji8 s PRO 70 CO -0.09 -2.59 0.00 -0.35 0.04 0.00 0.00 177.00 174.01 1ji8 n PRO 71 N -4.02 0.67 -0.01 0.56 -0.04 -1.26 -4.89 135.00 126.01 1ji8 n PRO 71 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 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 -0.74 0.64 0.03 0.52 0.13 -1.26 -4.66 119.36 114.01 1ji8 n ILE 72 Ca 0.00 -0.82 -0.11 0.00 -1.10 0.00 0.00 62.75 60.72 1ji8 n ILE 72 Cb 0.00 0.69 0.02 0.00 -0.84 0.00 0.00 39.64 39.50 1ji8 n ILE 72 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 1ji8 h LYS 73 N 0.11 0.50 0.00 9.51 3.64 -2.01 -3.04 116.57 125.27 1ji8 h LYS 73 Ca 0.00 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1ji8 h LYS 73 Cb 0.33 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1ji8 h LYS 73 CO 0.00 1.01 -0.10 1.98 -2.27 0.00 0.00 179.45 180.07 1ji8 h MET 74 N 0.35 0.00 -0.04 1.90 4.05 -2.00 -3.29 114.93 115.90 1ji8 h MET 74 Ca -0.03 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.31 1ji8 h MET 74 Cb 1.28 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.09 1ji8 h MET 74 CO 0.13 0.00 -0.30 0.28 0.23 0.00 0.00 176.91 177.25 1ji8 h VAL 75 N 0.00 1.46 0.00 -5.77 2.07 -1.81 -3.16 116.25 109.05 1ji8 h VAL 75 Ca 0.00 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 65.71 1ji8 h VAL 75 Cb 0.91 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 33.15 1ji8 h VAL 75 CO 0.00 0.51 -0.07 0.74 0.02 0.00 0.00 177.57 178.77 1ji8 h THR 76 N -0.28 0.73 0.00 2.57 2.02 -1.63 -1.48 112.91 114.85 1ji8 h THR 76 Ca -0.03 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 1ji8 h THR 76 Cb 0.98 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1ji8 h THR 76 CO 0.06 0.07 -0.15 0.50 0.37 0.00 0.00 175.52 176.37 1ji8 h LYS 77 N 0.00 0.00 0.00 6.66 3.64 -1.61 0.18 116.57 125.44 1ji8 h LYS 77 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ji8 h LYS 77 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1ji8 h LYS 77 CO 0.01 0.15 0.00 -1.91 -2.27 0.00 0.00 179.45 175.43 1ji8 n GLU 78 N -4.14 0.00 0.04 1.90 0.00 -0.57 -4.40 120.64 113.47 1ji8 n GLU 78 Ca -0.02 0.04 0.21 0.00 0.00 0.00 0.00 57.16 57.38 1ji8 n GLU 78 Cb 0.23 -0.31 0.73 0.00 0.00 0.00 0.00 31.44 32.09 1ji8 n GLU 78 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 1ji8 h THR 79 N 0.00 0.53 0.00 6.31 1.35 -1.67 -3.44 112.91 115.99 1ji8 h THR 79 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1ji8 h THR 79 Cb 0.00 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.11 1ji8 h THR 79 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1ji8 n GLY 80 N -1.56 0.70 3.72 5.82 0.00 0.63 -4.97 105.19 109.54 1ji8 n GLY 80 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.39 2.63 -2.02 1.61 3.72 -1.25 -4.91 117.46 114.85 1ji8 n PHE 81 Ca 0.00 0.33 -0.41 0.00 -0.05 0.00 0.00 57.45 57.32 1ji8 n PHE 81 Cb 0.02 -2.55 -0.01 0.00 -0.94 0.00 0.00 39.48 36.00 1ji8 n PHE 81 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ji8 s SER 82 N 0.37 6.61 0.45 4.37 0.15 -1.26 -4.71 113.70 119.68 1ji8 s SER 82 Ca 0.64 2.79 0.15 0.00 0.70 0.00 0.00 55.95 60.23 1ji8 s SER 82 Cb -0.54 -2.65 1.01 0.00 -1.71 0.00 0.00 66.02 62.12 1ji8 s SER 82 CO 0.50 -0.66 1.99 0.25 1.20 0.00 0.00 173.24 176.52 1ji8 h LEU 83 N 3.21 0.00 0.14 3.45 5.85 -1.98 -2.93 115.31 123.05 1ji8 h LEU 83 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1ji8 h LEU 83 Cb 1.23 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1ji8 h LEU 83 CO 0.65 0.18 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.48 1ji8 h GLU 84 N 0.00 -0.27 -1.04 1.25 5.08 -1.99 -1.04 114.58 116.56 1ji8 h GLU 84 Ca -0.00 0.02 0.27 0.00 -1.00 0.00 0.00 59.36 58.65 1ji8 h GLU 84 Cb 0.33 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.53 1ji8 h GLU 84 CO 0.02 -0.18 0.65 0.87 -1.00 0.00 0.00 179.01 179.37 1ji8 h LYS 85 N -0.28 0.43 -0.08 2.33 6.56 -1.90 0.48 116.57 124.11 1ji8 h LYS 85 Ca -0.00 -0.03 -0.18 0.00 -1.06 0.00 0.00 60.65 59.38 1ji8 h LYS 85 Cb 0.26 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.82 1ji8 h LYS 85 CO -0.02 0.29 -0.71 0.82 -2.06 0.00 0.00 179.45 177.76 1ji8 h ILE 86 N 0.45 1.38 -0.26 1.86 2.04 -1.40 -1.96 117.51 119.63 1ji8 h ILE 86 Ca 0.63 -2.13 -0.02 0.00 1.00 0.00 0.00 64.86 64.34 1ji8 h ILE 86 Cb 1.46 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 39.63 1ji8 h ILE 86 CO -0.38 0.64 0.09 1.88 0.00 0.00 0.00 178.15 180.38 1ji8 h TYR 87 N 0.26 0.35 0.03 1.37 0.05 0.12 -1.03 116.97 118.13 1ji8 h TYR 87 Ca -0.03 -0.01 -0.12 0.00 0.05 0.00 0.00 58.73 58.63 1ji8 h TYR 87 Cb 1.28 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.90 1ji8 h TYR 87 CO 0.04 0.30 -0.61 0.37 -1.05 0.00 0.00 178.16 177.20 1ji8 h GLN 88 N 0.36 0.07 -0.20 4.88 4.15 -1.26 -3.32 115.11 119.80 1ji8 h GLN 88 Ca 0.09 -0.12 0.06 0.00 0.77 0.00 0.00 58.65 59.44 1ji8 h GLN 88 Cb 0.10 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 1ji8 h GLN 88 CO -0.01 1.06 0.16 -0.07 -1.93 0.00 0.00 178.83 178.04 1ji8 h LEU 89 N -0.82 0.00 -9.10 -2.39 3.38 -1.24 -3.43 115.31 101.71 1ji8 h LEU 89 Ca -0.15 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.38 1ji8 h LEU 89 Cb 1.26 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.87 1ji8 h LEU 89 CO -0.02 0.00 -0.63 -0.36 0.09 0.00 0.00 178.44 177.51 1ji8 s PHE 90 N -4.93 1.83 0.42 1.13 0.08 -0.40 -5.09 117.98 111.02 1ji8 s PHE 90 Ca -0.05 -0.93 -0.07 0.00 0.12 0.00 0.00 56.93 56.00 1ji8 s PHE 90 Cb 0.17 -1.13 0.10 0.00 -0.57 0.00 0.00 43.02 41.59 1ji8 s PHE 90 CO 0.65 0.01 0.42 -0.35 -0.10 0.00 0.00 175.22 175.86 1ji8 n PRO 91 N -0.58 -1.38 -1.87 0.24 -0.04 -1.26 -4.57 135.00 125.54 1ji8 n PRO 91 Ca -0.03 -0.67 -0.29 0.00 -0.04 0.00 0.00 63.50 62.47 1ji8 n PRO 91 Cb 0.65 -0.56 -0.04 0.00 -0.04 0.00 0.00 33.50 33.51 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 -2.63 4.81 0.00 3.54 0.15 -1.26 -4.05 113.70 114.26 1ji8 s SER 92 Ca 0.26 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.98 1ji8 s SER 92 Cb -0.02 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1ji8 s SER 92 CO 0.20 -2.88 0.00 0.61 1.20 0.00 0.00 173.24 172.37 1ji8 n GLY 93 N 6.35 0.52 0.00 9.45 0.00 -1.26 -5.00 105.19 115.25 1ji8 n GLY 93 Ca 0.35 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.07 0.00 1.61 -0.04 -1.26 -3.12 135.00 132.26 1ji8 n PRO 94 Ca 0.00 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1ji8 n PRO 94 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 -1.45 0.00 -0.39 0.55 0.00 -1.26 -1.80 120.51 116.15 1ji8 n ALA 95 Ca 0.06 0.00 0.37 0.00 0.00 0.00 0.00 53.44 53.87 1ji8 n ALA 95 Cb 0.21 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.39 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 0.11 0.63 0.00 3.86 -1.90 -1.10 115.15 116.74 1ji8 h HIS 96 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1ji8 h HIS 96 Cb 0.00 -0.03 0.01 0.00 1.06 0.00 0.00 27.41 28.45 1ji8 h HIS 96 CO 0.00 -0.01 -0.30 0.78 0.86 0.00 0.00 177.93 179.26 1ji8 h GLY 97 N 0.05 -0.88 -0.53 2.45 0.00 -1.67 -2.39 103.07 100.10 1ji8 h GLY 97 Ca 0.65 0.33 0.09 0.00 0.00 0.00 0.00 47.33 48.39 1ji8 h GLY 97 CO -0.07 -0.32 -0.43 0.00 0.00 0.00 0.00 176.54 175.72 1ji8 h ALA 98 N -1.42 -0.30 -0.57 3.60 0.00 -0.40 0.42 119.26 120.59 1ji8 h ALA 98 Ca -0.09 0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.06 1ji8 h ALA 98 Cb 0.65 0.97 -0.11 0.00 0.00 0.00 0.00 17.79 19.29 1ji8 h ALA 98 CO 0.14 -0.81 -0.20 0.00 0.00 0.00 0.00 179.25 178.37 1ji8 h LYS 100 N -0.06 0.80 0.18 0.00 3.64 -0.40 -0.81 116.57 119.91 1ji8 h LYS 100 Ca 0.27 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1ji8 h LYS 100 Cb 0.48 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1ji8 h LYS 100 CO -0.62 0.53 -0.11 0.28 -2.27 0.00 0.00 179.45 177.26 1ji8 h VAL 101 N 0.82 0.78 0.00 2.00 2.07 0.20 -1.89 116.25 120.23 1ji8 h VAL 101 Ca 0.50 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.00 1ji8 h VAL 101 Cb 0.61 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1ji8 h VAL 101 CO -0.32 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.20 1ji8 h ALA 102 N 0.54 1.43 0.00 1.67 0.00 -0.76 -3.45 119.26 118.69 1ji8 h ALA 102 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ji8 h ALA 102 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ji8 h ALA 102 CO 0.02 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1ji8 n GLY 103 N -1.00 0.76 3.74 0.00 0.00 -0.39 -5.05 105.19 103.25 1ji8 n GLY 103 Ca -0.02 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.43 3.45 1.14 4.61 0.00 -0.97 -4.99 121.76 123.57 1ji8 s ALA 104 Ca 0.00 0.99 -0.19 0.00 0.00 0.00 0.00 51.96 52.76 1ji8 s ALA 104 Cb 0.00 -3.41 0.27 0.00 0.00 0.00 0.00 23.12 19.97 1ji8 s ALA 104 CO 0.00 -0.38 1.20 -1.25 0.00 0.00 0.00 175.76 175.33 1ji8 s PRO 105 N -0.55 -0.72 -0.46 0.00 0.04 -1.26 -4.95 135.00 127.09 1ji8 s PRO 105 Ca 0.52 -0.26 0.06 0.00 0.04 0.00 0.00 61.00 61.35 1ji8 s PRO 105 Cb -0.34 -1.67 0.20 0.00 0.04 0.00 0.00 34.50 32.73 1ji8 s PRO 105 CO 0.39 -3.35 0.61 1.63 0.04 0.00 0.00 177.00 176.32 1ji8 n LYS 106 N -4.46 0.49 -0.04 4.56 5.02 -1.26 -4.98 118.16 117.49 1ji8 n LYS 106 Ca 0.15 -2.49 -0.17 0.00 -2.02 0.00 0.00 58.31 53.78 1ji8 n LYS 106 Cb 0.60 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.04 1ji8 n LYS 106 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1ji8 h PRO 107 N 4.90 0.78 0.00 1.97 0.13 -2.06 -3.46 132.00 134.27 1ji8 h PRO 107 Ca 0.09 -0.60 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1ji8 h PRO 107 Cb 1.01 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1ji8 h PRO 107 CO 0.23 1.22 0.00 0.25 -0.23 0.00 0.00 178.00 179.47 1ji8 n THR 108 N -3.99 0.00 -1.50 1.56 -2.24 -1.26 -4.93 114.28 101.91 1ji8 n THR 108 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1ji8 n THR 108 Cb 0.70 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 1ji8 n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ji8 n GLY 109 N 5.00 0.82 1.99 3.38 0.00 -1.26 -5.08 105.19 110.04 1ji8 n GLY 109 Ca 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 46.02 45.64 1ji8 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32