#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ji8 h PRO 2 N 0.00 -0.08 -5.69 2.12 0.13 -1.88 -3.47 132.00 123.14 1ji8 h PRO 2 Ca 0.00 0.01 -0.63 0.00 -0.87 0.00 0.00 66.00 64.51 1ji8 h PRO 2 Cb 0.00 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.02 1ji8 h PRO 2 CO 0.00 0.50 -0.61 0.08 -0.23 0.00 0.00 178.00 177.74 1ji8 s VAL 3 N -3.49 2.03 0.05 1.56 1.01 -1.26 -5.10 120.40 115.19 1ji8 s VAL 3 Ca -0.15 -2.01 0.04 0.00 0.00 0.00 0.00 61.98 59.85 1ji8 s VAL 3 Cb 0.00 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1ji8 s VAL 3 CO 0.60 -0.02 -0.02 -0.54 0.00 0.00 0.00 175.10 175.12 1ji8 s LYS 4 N -3.70 2.60 0.06 2.72 1.02 -1.26 -5.06 119.74 116.12 1ji8 s LYS 4 Ca 0.35 -0.76 -0.04 0.00 0.02 0.00 0.00 55.97 55.54 1ji8 s LYS 4 Cb 0.09 -2.56 -0.02 0.00 -0.52 0.00 0.00 37.83 34.82 1ji8 s LYS 4 CO 0.18 0.58 0.06 0.00 -0.92 0.00 0.00 175.35 175.25 1ji8 s PRO 6 N -3.75 3.51 -0.24 0.00 0.04 -1.26 -4.85 135.00 128.45 1ji8 s PRO 6 Ca 0.05 1.14 -0.26 0.00 0.04 0.00 0.00 61.00 61.97 1ji8 s PRO 6 Cb 0.06 -2.06 0.11 0.00 0.04 0.00 0.00 34.50 32.64 1ji8 s PRO 6 CO -0.10 -0.64 0.94 0.20 0.04 0.00 0.00 177.00 177.44 1ji8 s GLY 7 N -2.83 -0.28 -0.21 0.56 0.00 -0.40 -4.98 107.32 99.18 1ji8 s GLY 7 Ca 0.62 2.33 -0.11 0.00 0.00 0.00 0.00 44.72 47.57 1ji8 s GLY 7 CO 0.35 1.60 0.18 -1.83 0.00 0.00 0.00 173.10 173.40 1ji8 s GLU 8 N -0.10 4.16 0.17 2.90 4.04 -1.26 -1.24 118.70 127.37 1ji8 s GLU 8 Ca 0.01 -0.16 0.04 0.00 0.04 0.00 0.00 54.97 54.89 1ji8 s GLU 8 Cb -0.04 -3.47 -0.05 0.00 0.02 0.00 0.00 34.13 30.60 1ji8 s GLU 8 CO -0.02 0.19 -0.07 0.71 -1.84 0.00 0.00 175.26 174.23 1ji8 s TYR 9 N 0.67 1.35 -0.06 4.83 2.02 -0.66 -5.00 117.35 120.51 1ji8 s TYR 9 Ca 0.10 -0.82 -0.02 0.00 -0.37 0.00 0.00 57.07 55.96 1ji8 s TYR 9 Cb -0.12 -0.72 -0.04 0.00 -0.40 0.00 0.00 41.96 40.68 1ji8 s TYR 9 CO 0.02 0.03 0.05 -1.14 -1.57 0.00 0.00 175.55 172.94 1ji8 s GLN 10 N -3.79 3.07 -0.37 -0.62 0.74 -1.26 -2.03 119.66 115.40 1ji8 s GLN 10 Ca 0.21 -0.41 0.01 0.00 0.05 0.00 0.00 55.36 55.23 1ji8 s GLN 10 Cb 0.04 -2.87 0.11 0.00 1.10 0.00 0.00 33.01 31.39 1ji8 s GLN 10 CO 0.03 0.69 0.14 0.08 -0.55 0.00 0.00 175.29 175.69 1ji8 s VAL 11 N -1.04 1.47 -0.22 1.34 1.01 -1.10 -4.94 120.40 116.93 1ji8 s VAL 11 Ca 0.18 -2.11 -0.17 0.00 0.00 0.00 0.00 61.98 59.88 1ji8 s VAL 11 Cb -0.12 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.22 1ji8 s VAL 11 CO 0.07 -0.74 0.30 -0.67 0.00 0.00 0.00 175.10 174.07 1ji8 n ASP 12 N 4.18 -6.25 -3.56 3.32 -0.08 -1.26 -3.12 116.55 109.77 1ji8 n ASP 12 Ca 0.03 0.23 -0.22 0.00 -1.51 0.00 0.00 54.79 53.32 1ji8 n ASP 12 Cb 0.39 -1.96 0.02 0.00 2.34 0.00 0.00 41.12 41.91 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 0.59 -1.15 3.55 0.27 0.00 -1.26 -4.98 105.19 102.20 1ji8 n GLY 13 Ca -0.03 0.50 -0.07 0.00 0.00 0.00 0.00 46.02 46.42 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 -4.95 0.79 -0.09 1.61 2.20 -1.18 -5.16 119.74 112.96 1ji8 s LYS 14 Ca 0.22 -0.32 0.02 0.00 -0.36 0.00 0.00 55.97 55.53 1ji8 s LYS 14 Cb -0.08 0.35 0.02 0.00 -1.51 0.00 0.00 37.83 36.60 1ji8 s LYS 14 CO 0.85 -0.35 -0.13 0.15 -0.36 0.00 0.00 175.35 175.51 1ji8 s LYS 15 N -3.04 1.90 -0.09 4.03 -0.14 -1.26 -2.70 119.74 118.44 1ji8 s LYS 15 Ca 0.07 -0.45 -0.00 0.00 -1.36 0.00 0.00 55.97 54.22 1ji8 s LYS 15 Cb -0.01 -1.65 0.02 0.00 -1.68 0.00 0.00 37.83 34.52 1ji8 s LYS 15 CO -0.07 -0.06 -0.06 0.08 -0.76 0.00 0.00 175.35 174.48 1ji8 s VAL 16 N 0.98 0.84 -0.53 3.17 1.01 -0.86 -4.93 120.40 120.07 1ji8 s VAL 16 Ca -0.08 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 1ji8 s VAL 16 Cb -0.15 -0.87 0.13 0.00 0.00 0.00 0.00 36.38 35.49 1ji8 s VAL 16 CO -0.00 0.33 0.43 -0.63 0.00 0.00 0.00 175.10 175.22 1ji8 s ILE 17 N 1.55 4.59 -0.03 2.22 1.01 -1.26 -1.65 121.20 127.63 1ji8 s ILE 17 Ca 0.01 -1.83 -0.30 0.00 0.00 0.00 0.00 60.65 58.53 1ji8 s ILE 17 Cb -0.13 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 1ji8 s ILE 17 CO -0.05 -0.83 1.47 -0.76 0.00 0.00 0.00 174.94 174.77 1ji8 s LEU 18 N 1.25 4.30 0.00 2.97 1.43 -0.37 -3.04 118.68 125.22 1ji8 s LEU 18 Ca 0.07 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 1ji8 s LEU 18 Cb -0.26 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.41 1ji8 s LEU 18 CO -0.01 -0.79 0.00 0.47 0.23 0.00 0.00 176.35 176.25 1ji8 n ASP 19 N 6.03 0.00 -4.55 2.29 9.92 -0.52 -1.28 116.55 128.45 1ji8 n ASP 19 Ca 0.15 0.00 -0.52 0.00 -0.53 0.00 0.00 54.79 53.88 1ji8 n ASP 19 Cb 0.43 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.86 1ji8 n ASP 19 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ji8 n GLU 20 N 0.00 0.77 -2.42 -1.24 -0.58 -1.26 0.43 120.64 116.35 1ji8 n GLU 20 Ca 0.00 0.28 -0.19 0.00 -0.42 0.00 0.00 57.16 56.83 1ji8 n GLU 20 Cb 0.00 -1.78 -0.00 0.00 -0.57 0.00 0.00 31.44 29.08 1ji8 n GLU 20 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1ji8 n ASP 21 N 2.05 -5.41 -3.70 1.62 2.03 -1.26 -2.19 116.55 109.68 1ji8 n ASP 21 Ca 0.18 -0.04 -0.25 0.00 0.52 0.00 0.00 54.79 55.20 1ji8 n ASP 21 Cb 0.19 -4.45 0.05 0.00 -0.72 0.00 0.00 41.12 36.19 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 -3.38 3.08 0.61 0.00 0.40 -0.90 -4.55 117.98 113.24 1ji8 s PHE 23 Ca 0.44 -1.17 -0.18 0.00 -0.60 0.00 0.00 56.93 55.42 1ji8 s PHE 23 Cb -0.21 -4.13 -0.05 0.00 0.51 0.00 0.00 43.02 39.14 1ji8 s PHE 23 CO 0.78 -1.39 0.89 0.00 0.70 0.00 0.00 175.22 176.20 1ji8 n MET 24 N 6.34 0.80 -2.32 0.44 0.00 -1.26 -1.44 117.12 119.68 1ji8 n MET 24 Ca 0.06 0.31 -0.16 0.00 0.00 0.00 0.00 57.70 57.91 1ji8 n MET 24 Cb 0.46 -2.09 0.03 0.00 0.00 0.00 0.00 33.22 31.61 1ji8 n MET 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1ji8 n GLN 25 N -0.93 2.94 -3.45 3.17 6.02 -1.17 -4.84 117.38 119.12 1ji8 n GLN 25 Ca 0.14 -3.94 -0.26 0.00 -0.01 0.00 0.00 57.00 52.92 1ji8 n GLN 25 Cb 0.48 -2.04 -0.09 0.00 1.02 0.00 0.00 30.24 29.61 1ji8 n GLN 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1ji8 n ASN 26 N -0.65 2.51 0.26 1.08 4.13 -1.26 -4.88 115.26 116.45 1ji8 n ASN 26 Ca 0.31 -3.16 0.16 0.00 1.68 0.00 0.00 54.58 53.58 1ji8 n ASN 26 Cb 0.90 -0.67 0.63 0.00 -1.54 0.00 0.00 39.78 39.10 1ji8 n ASN 26 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1ji8 h PRO 27 N 4.45 0.00 -0.01 3.52 0.13 -1.90 -2.51 132.00 135.68 1ji8 h PRO 27 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1ji8 h PRO 27 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1ji8 h PRO 27 CO 0.70 0.00 -0.02 -1.91 -0.23 0.00 0.00 178.00 176.54 1ji8 n GLU 28 N -3.01 1.29 -1.53 0.86 2.13 -1.26 -3.76 120.64 115.36 1ji8 n GLU 28 Ca 0.01 -0.51 -0.03 0.00 0.66 0.00 0.00 57.16 57.29 1ji8 n GLU 28 Cb 0.32 -1.49 0.09 0.00 0.27 0.00 0.00 31.44 30.63 1ji8 n GLU 28 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1ji8 n ASP 29 N -0.41 2.27 -4.85 4.31 8.00 -0.95 -5.07 116.55 119.86 1ji8 n ASP 29 Ca 0.20 -3.09 -0.33 0.00 0.71 0.00 0.00 54.79 52.29 1ji8 n ASP 29 Cb 0.25 -0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 1ji8 n ASP 29 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1ji8 s TRP 30 N -2.62 3.38 0.04 1.24 -0.00 -1.24 -4.90 118.94 114.84 1ji8 s TRP 30 Ca 0.38 1.22 -0.07 0.00 -0.00 0.00 0.00 56.10 57.63 1ji8 s TRP 30 Cb 0.38 -2.53 0.02 0.00 -0.00 0.00 0.00 33.47 31.34 1ji8 s TRP 30 CO -0.06 0.11 0.34 -0.25 -0.00 0.00 0.00 176.95 177.08 1ji8 n ASP 31 N -0.32 -0.51 -0.20 5.86 9.92 -1.26 -4.97 116.55 125.07 1ji8 n ASP 31 Ca 0.03 -1.24 -0.07 0.00 -0.53 0.00 0.00 54.79 52.98 1ji8 n ASP 31 Cb 0.53 0.82 0.07 0.00 -0.64 0.00 0.00 41.12 41.90 1ji8 n ASP 31 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1ji8 h GLU 32 N 0.00 1.02 0.00 -1.24 4.81 -1.99 -2.26 114.58 114.91 1ji8 h GLU 32 Ca -0.08 -0.30 -0.06 0.00 -0.13 0.00 0.00 59.36 58.79 1ji8 h GLU 32 Cb 0.37 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1ji8 h GLU 32 CO 0.11 0.98 -0.30 -0.22 -0.73 0.00 0.00 179.01 178.85 1ji8 h LYS 33 N 0.94 0.00 0.11 1.92 1.63 -1.98 -1.76 116.57 117.44 1ji8 h LYS 33 Ca 0.18 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 1ji8 h LYS 33 Cb 0.50 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1ji8 h LYS 33 CO 0.02 0.30 -0.05 0.28 -3.45 0.00 0.00 179.45 176.55 1ji8 h VAL 34 N 0.00 0.70 -0.38 2.00 2.07 -1.81 -2.28 116.25 116.56 1ji8 h VAL 34 Ca -0.00 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 1ji8 h VAL 34 Cb 0.64 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1ji8 h VAL 34 CO 0.04 0.21 0.19 0.00 0.02 0.00 0.00 177.57 178.02 1ji8 h ALA 35 N -0.54 1.62 0.36 1.67 0.00 -1.45 -1.30 119.26 119.63 1ji8 h ALA 35 Ca -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1ji8 h ALA 35 Cb 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ji8 h ALA 35 CO 0.03 0.31 -0.17 1.49 0.00 0.00 0.00 179.25 180.90 1ji8 h GLU 36 N 0.52 -0.47 -0.42 0.00 4.81 -1.40 -2.36 114.58 115.26 1ji8 h GLU 36 Ca 0.13 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.49 1ji8 h GLU 36 Cb 0.05 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1ji8 h GLU 36 CO -0.02 -0.18 0.29 2.35 -0.73 0.00 0.00 179.01 180.72 1ji8 h TRP 37 N -1.01 0.17 0.38 0.92 7.01 -1.33 -1.46 115.95 120.63 1ji8 h TRP 37 Ca -0.05 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 1ji8 h TRP 37 Cb 0.51 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.52 1ji8 h TRP 37 CO 0.03 0.08 -0.18 1.25 -2.79 0.00 0.00 178.44 176.83 1ji8 h LEU 38 N 0.16 -0.43 -2.01 0.65 6.46 -1.22 -1.59 115.31 117.33 1ji8 h LEU 38 Ca 0.19 0.01 0.15 0.00 -0.12 0.00 0.00 57.88 58.12 1ji8 h LEU 38 Cb 0.56 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.58 1ji8 h LEU 38 CO -0.03 -0.15 0.44 0.00 -0.62 0.00 0.00 178.44 178.08 1ji8 h ALA 39 N -1.46 2.35 0.00 1.25 0.00 -1.26 0.10 119.26 120.25 1ji8 h ALA 39 Ca -0.05 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 1ji8 h ALA 39 Cb 0.39 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ji8 h ALA 39 CO 0.08 -0.71 -0.93 -0.09 0.00 0.00 0.00 179.25 177.61 1ji8 h ARG 40 N 0.00 0.33 0.00 0.00 2.43 -1.21 -2.56 114.38 113.37 1ji8 h ARG 40 Ca 0.25 -0.36 -0.13 0.00 -0.81 0.00 0.00 59.98 58.92 1ji8 h ARG 40 Cb 1.12 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1ji8 h ARG 40 CO -0.00 1.06 -0.64 1.49 -1.51 0.00 0.00 179.97 180.37 1ji8 h GLU 41 N 0.19 0.00 0.00 0.20 4.57 0.20 -3.25 114.58 116.49 1ji8 h GLU 41 Ca -0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1ji8 h GLU 41 Cb 1.56 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.15 1ji8 h GLU 41 CO 0.15 0.64 0.00 1.28 -1.18 0.00 0.00 179.01 179.90 1ji8 n LEU 42 N -3.58 1.75 0.00 1.64 4.32 -0.68 -4.56 117.00 115.88 1ji8 n LEU 42 Ca -0.00 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.13 1ji8 n LEU 42 Cb 0.68 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1ji8 n LEU 42 CO 0.42 -0.17 0.00 1.21 -1.22 0.00 0.00 177.39 177.63 1ji8 n GLU 43 N -1.11 0.00 0.00 3.23 2.13 -0.98 -4.82 120.64 119.10 1ji8 n GLU 43 Ca 0.00 0.19 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1ji8 n GLU 43 Cb 0.00 -0.68 0.00 0.00 0.27 0.00 0.00 31.44 31.03 1ji8 n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ji8 n GLY 44 N 2.31 0.00 3.54 8.31 0.00 -1.13 -4.98 105.19 113.24 1ji8 n GLY 44 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 3.94 0.17 -0.61 1.01 -1.24 -4.87 121.20 119.60 1ji8 s ILE 45 Ca 0.00 0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.94 1ji8 s ILE 45 Cb 0.00 -4.80 0.07 0.00 0.01 0.00 0.00 42.46 37.73 1ji8 s ILE 45 CO 0.00 -1.60 1.71 1.56 0.00 0.00 0.00 174.94 176.60 1ji8 h GLN 46 N 9.78 0.89 -3.52 2.79 1.08 -1.95 -3.41 115.11 120.77 1ji8 h GLN 46 Ca -0.27 -0.18 -0.46 0.00 -1.45 0.00 0.00 58.65 56.29 1ji8 h GLN 46 Cb 1.06 -0.13 -0.39 0.00 -0.05 0.00 0.00 27.48 27.96 1ji8 h GLN 46 CO 1.22 0.78 -0.76 0.21 -0.95 0.00 0.00 178.83 179.34 1ji8 s LYS 47 N -5.47 0.47 0.07 1.46 2.20 -1.26 -5.10 119.74 112.11 1ji8 s LYS 47 Ca -0.13 -0.06 -0.33 0.00 -0.36 0.00 0.00 55.97 55.10 1ji8 s LYS 47 Cb 0.13 -1.40 -0.12 0.00 -1.51 0.00 0.00 37.83 34.92 1ji8 s LYS 47 CO 0.80 -0.46 1.77 -1.33 -0.36 0.00 0.00 175.35 175.76 1ji8 n MET 48 N 5.15 2.39 -1.41 4.03 2.81 -1.26 -4.95 117.12 123.88 1ji8 n MET 48 Ca -0.07 0.87 -0.30 0.00 -1.81 0.00 0.00 57.70 56.39 1ji8 n MET 48 Cb 0.49 -2.71 0.11 0.00 -0.71 0.00 0.00 33.22 30.41 1ji8 n MET 48 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1ji8 s THR 49 N 2.55 2.80 0.44 2.03 -4.23 -1.26 -4.89 115.64 113.08 1ji8 s THR 49 Ca 0.84 0.26 0.11 0.00 -1.18 0.00 0.00 61.69 61.72 1ji8 s THR 49 Cb -0.61 -2.90 0.24 0.00 1.34 0.00 0.00 72.50 70.57 1ji8 s THR 49 CO 0.42 -0.34 2.06 -0.33 -0.54 0.00 0.00 174.62 175.89 1ji8 h GLU 50 N -1.32 0.28 -0.17 3.99 5.08 -2.01 -2.61 114.58 117.83 1ji8 h GLU 50 Ca -0.48 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 57.75 1ji8 h GLU 50 Cb 1.28 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1ji8 h GLU 50 CO 0.58 0.24 -0.27 0.93 -1.00 0.00 0.00 179.01 179.48 1ji8 h GLU 51 N 0.29 0.48 -0.22 2.33 5.08 -1.99 -2.58 114.58 117.96 1ji8 h GLU 51 Ca 0.07 -0.29 0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1ji8 h GLU 51 Cb 0.06 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 1ji8 h GLU 51 CO -0.01 0.89 -0.30 0.45 -1.00 0.00 0.00 179.01 179.04 1ji8 h HIS 52 N 0.12 -0.83 -0.06 4.33 3.86 -1.82 0.63 115.15 121.37 1ji8 h HIS 52 Ca 0.01 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1ji8 h HIS 52 Cb 0.85 0.40 -0.01 0.00 1.06 0.00 0.00 27.41 29.72 1ji8 h HIS 52 CO 0.09 -0.38 -0.09 -1.49 0.86 0.00 0.00 177.93 176.93 1ji8 h TRP 53 N -0.33 0.09 0.51 2.45 -0.00 -1.58 -2.38 115.95 114.71 1ji8 h TRP 53 Ca 0.12 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.98 1ji8 h TRP 53 Cb 0.52 -0.03 0.01 0.00 -0.00 0.00 0.00 29.16 29.66 1ji8 h TRP 53 CO -0.44 0.18 -0.25 0.87 -0.00 0.00 0.00 178.44 178.81 1ji8 h LYS 54 N 0.09 -0.66 -0.89 0.49 1.79 -0.49 -1.57 116.57 115.32 1ji8 h LYS 54 Ca 0.02 0.05 0.16 0.00 -2.18 0.00 0.00 60.65 58.70 1ji8 h LYS 54 Cb 0.22 0.15 -0.10 0.00 -1.58 0.00 0.00 32.23 30.92 1ji8 h LYS 54 CO 0.01 -0.44 0.48 1.25 -1.08 0.00 0.00 179.45 179.67 1ji8 h LEU 55 N -0.77 0.58 -0.87 2.94 5.85 -1.26 0.53 115.31 122.31 1ji8 h LEU 55 Ca -0.07 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1ji8 h LEU 55 Cb 0.53 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 1ji8 h LEU 55 CO 0.12 0.22 0.54 0.58 -0.34 0.00 0.00 178.44 179.56 1ji8 h VAL 56 N 0.64 1.06 0.48 1.05 2.07 -1.34 -1.70 116.25 118.53 1ji8 h VAL 56 Ca 0.50 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 1ji8 h VAL 56 Cb 0.74 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1ji8 h VAL 56 CO -0.38 0.18 -0.23 0.11 0.02 0.00 0.00 177.57 177.27 1ji8 h LYS 57 N 1.01 -0.63 -1.11 1.57 1.57 0.13 -2.10 116.57 117.00 1ji8 h LYS 57 Ca 0.37 0.04 0.31 0.00 -1.87 0.00 0.00 60.65 59.50 1ji8 h LYS 57 Cb 0.14 0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.51 1ji8 h LYS 57 CO -0.16 -0.32 0.74 -0.92 -0.57 0.00 0.00 179.45 178.22 1ji8 h TYR 58 N -0.96 0.45 -0.03 -1.35 3.20 -1.16 0.41 116.97 117.53 1ji8 h TYR 58 Ca -0.07 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1ji8 h TYR 58 Cb 0.60 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 1ji8 h TYR 58 CO 0.01 0.01 -0.03 1.25 -1.64 0.00 0.00 178.16 177.76 1ji8 h LEU 59 N 0.24 0.07 -0.29 2.82 5.85 -1.10 -2.67 115.31 120.25 1ji8 h LEU 59 Ca 0.61 -0.51 0.07 0.00 0.84 0.00 0.00 57.88 58.89 1ji8 h LEU 59 Cb 1.85 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.78 1ji8 h LEU 59 CO -0.22 0.56 -0.19 -0.09 -0.34 0.00 0.00 178.44 178.16 1ji8 h ARG 60 N -0.41 -0.16 -0.97 1.25 2.43 -0.24 -0.27 114.38 116.01 1ji8 h ARG 60 Ca 0.00 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.28 1ji8 h ARG 60 Cb 0.55 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.06 1ji8 h ARG 60 CO 0.01 -0.10 0.61 1.49 -1.51 0.00 0.00 179.97 180.46 1ji8 h GLU 61 N -0.16 1.00 0.00 0.20 4.81 -1.44 0.50 114.58 119.49 1ji8 h GLU 61 Ca 0.15 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1ji8 h GLU 61 Cb 0.40 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1ji8 h GLU 61 CO -0.38 0.66 -0.13 -0.92 -0.73 0.00 0.00 179.01 177.51 1ji8 h TYR 62 N 1.03 0.00 -0.01 0.92 3.20 -0.72 -1.93 116.97 119.47 1ji8 h TYR 62 Ca 0.45 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 62.16 1ji8 h TYR 62 Cb 0.34 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 1ji8 h TYR 62 CO -0.01 0.13 -0.76 2.35 -1.64 0.00 0.00 178.16 178.23 1ji8 h TRP 63 N 0.00 0.13 -0.36 -3.82 7.01 0.12 -3.18 115.95 115.84 1ji8 h TRP 63 Ca -0.00 -0.06 -0.11 0.00 2.11 0.00 0.00 58.89 60.82 1ji8 h TRP 63 Cb 0.23 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 1ji8 h TRP 63 CO 0.00 0.81 -0.21 0.93 -2.79 0.00 0.00 178.44 177.18 1ji8 h GLU 64 N 0.06 0.79 -0.95 2.65 5.08 -0.83 -1.13 114.58 120.24 1ji8 h GLU 64 Ca -0.02 -0.36 0.04 0.00 -1.00 0.00 0.00 59.36 58.02 1ji8 h GLU 64 Cb 1.33 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.51 1ji8 h GLU 64 CO 0.11 0.99 0.62 1.15 -1.00 0.00 0.00 179.01 180.87 1ji8 h THR 65 N 0.58 1.16 0.00 1.13 2.02 -1.51 -3.43 112.91 112.86 1ji8 h THR 65 Ca 0.08 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1ji8 h THR 65 Cb 0.77 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1ji8 h THR 65 CO 0.06 0.22 0.00 0.33 0.37 0.00 0.00 175.52 176.50 1ji8 n PHE 66 N -4.49 -2.74 0.00 3.16 -0.00 -1.16 -5.13 117.46 107.11 1ji8 n PHE 66 Ca 0.13 0.66 0.00 0.00 -0.00 0.00 0.00 57.45 58.23 1ji8 n PHE 66 Cb 0.10 1.46 0.00 0.00 -0.00 0.00 0.00 39.48 41.04 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 0.53 1.14 3.71 7.13 0.00 -0.44 -4.97 105.19 112.29 1ji8 n GLY 67 Ca 0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 1ji8 n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ji8 s THR 68 N 0.00 0.00 -0.41 2.61 -4.23 -1.26 -5.01 115.64 107.34 1ji8 s THR 68 Ca 0.00 -1.22 0.06 0.00 -1.18 0.00 0.00 61.69 59.35 1ji8 s THR 68 Cb 0.00 -2.25 0.21 0.00 1.34 0.00 0.00 72.50 71.80 1ji8 s THR 68 CO 0.00 0.00 0.47 0.00 -0.54 0.00 0.00 174.62 174.55 1ji8 s PRO 70 N -0.42 2.46 0.58 0.00 0.04 -1.26 -4.91 135.00 131.49 1ji8 s PRO 70 Ca 0.34 0.93 -0.10 0.00 0.04 0.00 0.00 61.00 62.21 1ji8 s PRO 70 Cb 0.11 -1.94 0.14 0.00 0.04 0.00 0.00 34.50 32.85 1ji8 s PRO 70 CO -0.15 -1.43 0.57 -0.35 0.04 0.00 0.00 177.00 175.68 1ji8 n PRO 71 N -3.35 -1.68 -1.29 0.56 -0.04 -1.26 -4.74 135.00 123.19 1ji8 n PRO 71 Ca 0.08 -0.91 -0.22 0.00 -0.04 0.00 0.00 63.50 62.41 1ji8 n PRO 71 Cb 0.54 -0.78 -0.08 0.00 -0.04 0.00 0.00 33.50 33.14 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 -3.47 3.17 -0.08 0.52 0.13 -1.26 -4.41 119.36 113.96 1ji8 n ILE 72 Ca 0.08 -2.44 -0.08 0.00 -1.10 0.00 0.00 62.75 59.21 1ji8 n ILE 72 Cb 0.29 -1.69 -0.03 0.00 -0.84 0.00 0.00 39.64 37.38 1ji8 n ILE 72 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1ji8 n LYS 73 N 1.30 0.48 0.20 9.51 5.02 -1.26 -4.10 118.16 129.32 1ji8 n LYS 73 Ca 0.45 0.27 0.08 0.00 -2.02 0.00 0.00 58.31 57.09 1ji8 n LYS 73 Cb 0.65 -1.44 0.34 0.00 -0.02 0.00 0.00 35.03 34.57 1ji8 n LYS 73 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 1ji8 h MET 74 N -0.94 0.00 -0.45 1.97 4.05 -1.98 -3.11 114.93 114.47 1ji8 h MET 74 Ca 0.00 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.31 1ji8 h MET 74 Cb 0.84 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.62 1ji8 h MET 74 CO 0.00 0.28 -0.15 0.28 0.23 0.00 0.00 176.91 177.55 1ji8 h VAL 75 N 0.00 1.26 0.00 -5.77 2.07 -1.80 -2.56 116.25 109.46 1ji8 h VAL 75 Ca -0.00 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.23 1ji8 h VAL 75 Cb 0.91 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1ji8 h VAL 75 CO 0.04 0.43 -0.17 0.71 0.02 0.00 0.00 177.57 178.59 1ji8 h THR 76 N 0.75 0.80 0.00 2.57 1.35 -1.69 -1.37 112.91 115.31 1ji8 h THR 76 Ca 0.12 -0.68 -0.03 0.00 -0.55 0.00 0.00 66.41 65.26 1ji8 h THR 76 Cb 0.66 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1ji8 h THR 76 CO 0.05 0.17 -0.16 0.50 -0.25 0.00 0.00 175.52 175.83 1ji8 h LYS 77 N 0.00 0.00 -0.93 4.72 1.63 -1.53 -3.23 116.57 117.23 1ji8 h LYS 77 Ca -0.00 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.44 1ji8 h LYS 77 Cb 0.39 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 31.62 1ji8 h LYS 77 CO 0.02 0.16 -1.15 0.39 -3.45 0.00 0.00 179.45 175.42 1ji8 n GLU 78 N -4.20 1.43 0.00 1.90 1.02 -0.84 -4.89 120.64 115.06 1ji8 n GLU 78 Ca -0.02 -3.39 0.00 0.00 -0.02 0.00 0.00 57.16 53.72 1ji8 n GLU 78 Cb 0.23 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1ji8 n GLU 78 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1ji8 n THR 79 N -0.19 0.00 0.00 2.62 -1.04 -0.58 -5.02 114.28 110.07 1ji8 n THR 79 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1ji8 n THR 79 Cb 0.81 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 69.19 1ji8 n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ji8 n GLY 80 N -0.70 1.80 3.54 3.41 0.00 -1.22 -4.99 105.19 107.02 1ji8 n GLY 80 Ca 0.00 0.00 -0.34 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 -2.00 1.12 -2.28 1.61 3.01 -1.26 -4.89 117.46 112.77 1ji8 n PHE 81 Ca 0.00 0.16 -0.36 0.00 1.01 0.00 0.00 57.45 58.27 1ji8 n PHE 81 Cb 0.00 -2.48 -0.01 0.00 -0.01 0.00 0.00 39.48 36.99 1ji8 n PHE 81 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ji8 s SER 82 N 10.77 5.95 0.54 4.37 0.15 -1.26 -4.72 113.70 129.50 1ji8 s SER 82 Ca 1.08 2.21 0.22 0.00 0.70 0.00 0.00 55.95 60.16 1ji8 s SER 82 Cb -0.46 -2.59 1.49 0.00 -1.71 0.00 0.00 66.02 62.75 1ji8 s SER 82 CO 0.31 -1.07 2.18 0.25 1.20 0.00 0.00 173.24 176.11 1ji8 h LEU 83 N 1.56 0.00 -0.09 3.45 5.85 -1.92 -2.47 115.31 121.68 1ji8 h LEU 83 Ca -0.50 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 1ji8 h LEU 83 Cb 1.25 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1ji8 h LEU 83 CO 0.58 0.02 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.58 1ji8 h GLU 84 N 0.00 0.20 -0.95 1.25 4.57 -1.99 -1.31 114.58 116.34 1ji8 h GLU 84 Ca -0.00 -0.09 0.06 0.00 -1.18 0.00 0.00 59.36 58.15 1ji8 h GLU 84 Cb 0.04 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.56 1ji8 h GLU 84 CO 0.00 0.56 0.61 0.87 -1.18 0.00 0.00 179.01 179.87 1ji8 h LYS 85 N -0.17 1.10 0.00 1.92 1.57 -1.82 -0.90 116.57 118.26 1ji8 h LYS 85 Ca 0.02 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 1ji8 h LYS 85 Cb 0.50 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1ji8 h LYS 85 CO 0.01 0.73 -0.49 0.82 -0.57 0.00 0.00 179.45 179.95 1ji8 h ILE 86 N 1.13 1.13 -0.30 1.86 2.04 -1.44 -2.29 117.51 119.64 1ji8 h ILE 86 Ca 0.40 -1.80 -0.10 0.00 1.00 0.00 0.00 64.86 64.36 1ji8 h ILE 86 Cb 0.12 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1ji8 h ILE 86 CO -0.16 0.48 -0.20 0.22 0.00 0.00 0.00 178.15 178.49 1ji8 h TYR 87 N 0.00 0.79 0.16 1.37 5.03 0.02 -0.16 116.97 124.18 1ji8 h TYR 87 Ca -0.00 -0.21 -0.01 0.00 2.58 0.00 0.00 58.73 61.09 1ji8 h TYR 87 Cb 1.00 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 39.10 1ji8 h TYR 87 CO 0.00 0.92 -0.08 0.37 -1.32 0.00 0.00 178.16 178.06 1ji8 h GLN 88 N 0.43 -0.21 -0.01 1.82 4.15 -1.33 -2.48 115.11 117.47 1ji8 h GLN 88 Ca 0.06 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1ji8 h GLN 88 Cb 0.74 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.48 1ji8 h GLN 88 CO 0.06 0.23 0.01 -0.07 -1.93 0.00 0.00 178.83 177.12 1ji8 h LEU 89 N -0.83 0.00 -6.51 -2.39 3.38 -1.50 -3.36 115.31 104.10 1ji8 h LEU 89 Ca -0.02 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.55 1ji8 h LEU 89 Cb 0.53 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.94 1ji8 h LEU 89 CO 0.04 0.00 -0.69 0.12 0.09 0.00 0.00 178.44 177.99 1ji8 s PHE 90 N -5.02 -0.19 -0.98 1.13 2.19 -0.07 -5.06 117.98 109.98 1ji8 s PHE 90 Ca -0.05 -0.61 -0.24 0.00 0.33 0.00 0.00 56.93 56.36 1ji8 s PHE 90 Cb 0.17 -0.55 -0.02 0.00 -1.31 0.00 0.00 43.02 41.31 1ji8 s PHE 90 CO 0.66 -0.91 1.81 -1.25 1.83 0.00 0.00 175.22 177.35 1ji8 s PRO 91 N 1.92 2.88 0.00 10.12 0.04 -0.94 -3.57 135.00 145.46 1ji8 s PRO 91 Ca 0.12 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 60.48 1ji8 s PRO 91 Cb -0.16 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.20 1ji8 s PRO 91 CO -0.21 -3.09 0.00 0.45 0.04 0.00 0.00 177.00 174.18 1ji8 n SER 92 N 12.46 0.00 0.00 6.66 2.88 -1.26 -5.05 113.62 129.30 1ji8 n SER 92 Ca 0.39 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1ji8 n SER 92 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1ji8 n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ji8 n GLY 93 N 0.00 3.73 0.01 0.46 0.00 -1.23 -4.83 105.19 103.32 1ji8 n GLY 93 Ca 0.00 -1.48 0.10 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.43 0.01 0.00 1.61 -0.04 -1.26 -1.97 135.00 132.92 1ji8 n PRO 94 Ca 0.00 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1ji8 n PRO 94 Cb 0.00 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.51 0.00 0.80 0.55 0.00 -1.26 -3.43 120.51 115.66 1ji8 n ALA 95 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.61 1ji8 n ALA 95 Cb 0.23 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.20 1ji8 n ALA 95 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ji8 n HIS 96 N -0.03 0.17 0.00 0.00 8.25 -1.26 -3.16 115.22 119.19 1ji8 n HIS 96 Ca 0.00 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1ji8 n HIS 96 Cb 0.00 -0.59 0.00 0.00 1.12 0.00 0.00 29.99 30.52 1ji8 n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ji8 n GLY 97 N 1.05 1.64 0.51 -1.41 0.00 -0.83 -1.73 105.19 104.41 1ji8 n GLY 97 Ca 0.06 0.00 0.40 0.00 0.00 0.00 0.00 46.02 46.48 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 2.95 0.27 4.61 0.00 -1.58 -0.98 119.26 122.53 1ji8 h ALA 98 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ji8 h ALA 98 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ji8 h ALA 98 CO 0.00 -1.56 -0.13 0.00 0.00 0.00 0.00 179.25 177.56 1ji8 h LYS 100 N -0.65 0.03 0.06 0.00 3.64 -0.34 0.18 116.57 119.49 1ji8 h LYS 100 Ca -0.04 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1ji8 h LYS 100 Cb 0.28 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1ji8 h LYS 100 CO 0.06 0.02 -0.03 0.28 -2.27 0.00 0.00 179.45 177.51 1ji8 h VAL 101 N 0.04 1.22 -0.36 2.00 2.07 -1.31 -3.19 116.25 116.72 1ji8 h VAL 101 Ca 0.80 -1.49 0.10 0.00 0.82 0.00 0.00 66.70 66.93 1ji8 h VAL 101 Cb 3.00 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 34.87 1ji8 h VAL 101 CO -0.11 0.34 0.32 0.00 0.02 0.00 0.00 177.57 178.14 1ji8 h ALA 102 N -0.05 2.15 -1.06 1.67 0.00 0.05 -3.45 119.26 118.56 1ji8 h ALA 102 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ji8 h ALA 102 Cb 0.63 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ji8 h ALA 102 CO 0.01 -0.51 0.00 0.41 0.00 0.00 0.00 179.25 179.17 1ji8 n GLY 103 N -1.52 0.64 2.54 0.00 0.00 -0.63 -5.02 105.19 101.20 1ji8 n GLY 103 Ca 0.06 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 1ji8 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ji8 n ALA 104 N -0.98 4.19 -1.36 4.61 0.00 -1.24 -4.87 120.51 120.87 1ji8 n ALA 104 Ca 0.00 -4.73 -0.29 0.00 0.00 0.00 0.00 53.44 48.42 1ji8 n ALA 104 Cb 0.32 -0.86 0.15 0.00 0.00 0.00 0.00 19.45 19.07 1ji8 n ALA 104 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ji8 s PRO 105 N -2.71 0.84 0.99 0.00 0.04 -1.26 -4.90 135.00 127.99 1ji8 s PRO 105 Ca 0.42 0.42 -0.15 0.00 0.04 0.00 0.00 61.00 61.74 1ji8 s PRO 105 Cb 0.18 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.95 1ji8 s PRO 105 CO -0.04 -2.43 0.12 0.36 0.04 0.00 0.00 177.00 175.04 1ji8 n LYS 106 N -3.95 -0.47 -1.33 4.56 2.85 -1.26 -4.96 118.16 113.59 1ji8 n LYS 106 Ca 0.06 -0.11 -0.30 0.00 -1.05 0.00 0.00 58.31 56.91 1ji8 n LYS 106 Cb 0.58 -1.69 0.23 0.00 -0.65 0.00 0.00 35.03 33.50 1ji8 n LYS 106 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1ji8 s PRO 107 N -3.34 -0.72 -0.14 -1.58 0.04 -1.26 -5.04 135.00 122.97 1ji8 s PRO 107 Ca 0.54 -0.18 -0.07 0.00 0.04 0.00 0.00 61.00 61.33 1ji8 s PRO 107 Cb -0.18 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1ji8 s PRO 107 CO 0.69 -3.36 0.09 0.95 0.04 0.00 0.00 177.00 175.42 1ji8 s THR 108 N -3.27 5.10 0.00 1.26 -4.23 -1.26 -5.04 115.64 108.20 1ji8 s THR 108 Ca 0.72 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 61.29 1ji8 s THR 108 Cb -0.08 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 70.52 1ji8 s THR 108 CO 0.55 0.55 0.00 0.61 -0.54 0.00 0.00 174.62 175.79 1ji8 n GLY 109 N 2.65 -0.07 3.99 3.99 0.00 -1.26 -5.07 105.19 109.42 1ji8 n GLY 109 Ca -0.18 0.00 -0.19 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