#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ji8 s PRO 2 N 0.00 2.76 -0.33 0.03 0.04 -1.26 -4.71 135.00 131.54 1ji8 s PRO 2 Ca 0.00 1.10 -0.18 0.00 0.04 0.00 0.00 61.00 61.96 1ji8 s PRO 2 Cb 0.00 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1ji8 s PRO 2 CO 0.00 -1.24 0.51 0.08 0.04 0.00 0.00 177.00 176.39 1ji8 s VAL 3 N -2.86 5.03 -0.25 -0.36 1.01 -1.26 -5.00 120.40 116.71 1ji8 s VAL 3 Ca 0.61 0.46 -0.32 0.00 0.00 0.00 0.00 61.98 62.73 1ji8 s VAL 3 Cb -0.16 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 1ji8 s VAL 3 CO 0.52 -0.15 2.17 0.29 0.00 0.00 0.00 175.10 177.92 1ji8 n LYS 4 N 5.71 1.66 -4.08 2.72 4.76 -1.26 -4.92 118.16 122.75 1ji8 n LYS 4 Ca -0.05 0.48 -0.31 0.00 -2.87 0.00 0.00 58.31 55.56 1ji8 n LYS 4 Cb 0.49 -2.87 -0.07 0.00 -1.84 0.00 0.00 35.03 30.74 1ji8 n LYS 4 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ji8 s PRO 6 N -2.15 -0.09 -0.26 0.00 0.04 -1.23 -4.83 135.00 126.48 1ji8 s PRO 6 Ca 0.27 -0.27 -0.28 0.00 0.04 0.00 0.00 61.00 60.75 1ji8 s PRO 6 Cb -0.12 -1.75 0.17 0.00 0.04 0.00 0.00 34.50 32.84 1ji8 s PRO 6 CO 0.19 -2.92 1.28 0.20 0.04 0.00 0.00 177.00 175.79 1ji8 s GLY 7 N -4.50 0.06 -0.12 0.56 0.00 -0.71 -4.98 107.32 97.64 1ji8 s GLY 7 Ca 0.73 2.83 0.03 0.00 0.00 0.00 0.00 44.72 48.31 1ji8 s GLY 7 CO 0.54 1.36 -0.23 1.85 0.00 0.00 0.00 173.10 176.62 1ji8 s GLU 8 N -0.68 3.02 0.21 2.90 2.12 -1.26 -0.97 118.70 124.05 1ji8 s GLU 8 Ca 0.06 -0.86 -0.03 0.00 0.36 0.00 0.00 54.97 54.50 1ji8 s GLU 8 Cb -0.02 -2.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.98 1ji8 s GLU 8 CO -0.08 0.09 0.20 0.71 -0.54 0.00 0.00 175.26 175.64 1ji8 s TYR 9 N 0.57 1.05 0.16 5.30 2.02 -0.93 -5.02 117.35 120.49 1ji8 s TYR 9 Ca -0.13 -1.28 0.08 0.00 -0.37 0.00 0.00 57.07 55.37 1ji8 s TYR 9 Cb -0.17 -0.43 -0.04 0.00 -0.40 0.00 0.00 41.96 40.92 1ji8 s TYR 9 CO 0.04 -0.72 -0.19 1.14 -1.57 0.00 0.00 175.55 174.26 1ji8 s GLN 10 N -4.09 1.26 -0.29 -0.62 -2.07 -1.26 -1.13 119.66 111.45 1ji8 s GLN 10 Ca 0.36 -1.38 -0.01 0.00 -1.82 0.00 0.00 55.36 52.51 1ji8 s GLN 10 Cb 0.05 -1.34 0.09 0.00 -1.09 0.00 0.00 33.01 30.73 1ji8 s GLN 10 CO 0.12 0.28 0.08 0.08 -1.32 0.00 0.00 175.29 174.53 1ji8 s VAL 11 N -1.95 0.93 -0.04 3.63 1.01 -1.17 -4.92 120.40 117.90 1ji8 s VAL 11 Ca 0.15 -1.34 -0.00 0.00 0.00 0.00 0.00 61.98 60.78 1ji8 s VAL 11 Cb -0.06 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1ji8 s VAL 11 CO 0.06 -0.59 0.00 -0.67 0.00 0.00 0.00 175.10 173.90 1ji8 n ASP 12 N 4.83 -6.75 -3.76 3.32 -0.08 -1.26 -3.13 116.55 109.72 1ji8 n ASP 12 Ca -0.03 0.56 -0.33 0.00 -1.51 0.00 0.00 54.79 53.48 1ji8 n ASP 12 Cb 0.43 -2.07 0.03 0.00 2.34 0.00 0.00 41.12 41.85 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 1.26 -1.02 3.80 0.27 0.00 -1.26 -4.96 105.19 103.28 1ji8 n GLY 13 Ca -0.00 0.45 -0.05 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 -6.02 1.43 0.02 1.61 2.47 -1.18 -5.18 119.74 112.89 1ji8 s LYS 14 Ca 0.38 -0.80 0.02 0.00 -1.56 0.00 0.00 55.97 54.01 1ji8 s LYS 14 Cb -0.16 0.48 -0.01 0.00 -1.46 0.00 0.00 37.83 36.68 1ji8 s LYS 14 CO 0.89 -0.66 -0.07 0.21 0.16 0.00 0.00 175.35 175.88 1ji8 s LYS 15 N -3.45 0.53 -0.19 4.03 2.20 -1.26 -3.02 119.74 118.57 1ji8 s LYS 15 Ca 0.12 -0.51 -0.04 0.00 -0.36 0.00 0.00 55.97 55.19 1ji8 s LYS 15 Cb -0.03 -0.42 0.10 0.00 -1.51 0.00 0.00 37.83 35.96 1ji8 s LYS 15 CO 0.04 0.10 0.30 0.08 -0.36 0.00 0.00 175.35 175.51 1ji8 s VAL 16 N -0.76 -0.46 -0.02 4.02 1.01 -0.28 -4.90 120.40 119.01 1ji8 s VAL 16 Ca -0.03 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 1ji8 s VAL 16 Cb -0.06 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1ji8 s VAL 16 CO 0.00 -0.06 0.20 -0.63 0.00 0.00 0.00 175.10 174.61 1ji8 s ILE 17 N 2.44 5.41 -0.25 2.22 1.01 -1.26 -2.19 121.20 128.58 1ji8 s ILE 17 Ca 0.06 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.69 1ji8 s ILE 17 Cb -0.14 -3.53 0.06 0.00 0.01 0.00 0.00 42.46 38.86 1ji8 s ILE 17 CO -0.12 0.36 -0.06 -0.76 0.00 0.00 0.00 174.94 174.37 1ji8 s LEU 18 N -1.81 2.99 0.00 2.97 1.43 -0.14 -2.29 118.68 121.83 1ji8 s LEU 18 Ca 0.26 -1.34 -0.07 0.00 -1.03 0.00 0.00 54.13 51.96 1ji8 s LEU 18 Cb -0.13 -1.31 0.10 0.00 0.03 0.00 0.00 46.19 44.89 1ji8 s LEU 18 CO 0.17 -0.24 0.23 0.47 0.23 0.00 0.00 176.35 177.21 1ji8 n ASP 19 N 4.57 -2.31 0.16 2.29 9.92 -0.84 -1.74 116.55 128.61 1ji8 n ASP 19 Ca -0.11 -0.24 0.13 0.00 -0.53 0.00 0.00 54.79 54.04 1ji8 n ASP 19 Cb 0.43 -0.30 0.56 0.00 -0.64 0.00 0.00 41.12 41.17 1ji8 n ASP 19 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1ji8 h GLU 20 N 0.00 0.00 -0.67 -1.24 4.81 -1.92 -2.50 114.58 113.05 1ji8 h GLU 20 Ca -0.11 0.00 -0.42 0.00 -0.13 0.00 0.00 59.36 58.70 1ji8 h GLU 20 Cb 0.36 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 29.49 1ji8 h GLU 20 CO 0.06 0.00 0.09 -0.25 -0.73 0.00 0.00 179.01 178.18 1ji8 n ASP 21 N -2.35 4.31 -3.98 1.04 8.00 -1.26 -4.44 116.55 117.88 1ji8 n ASP 21 Ca 0.01 -3.76 -0.26 0.00 0.71 0.00 0.00 54.79 51.48 1ji8 n ASP 21 Cb 0.17 -0.68 -0.02 0.00 -0.02 0.00 0.00 41.12 40.57 1ji8 n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ji8 s PHE 23 N -3.91 2.88 -0.26 0.00 2.19 -1.26 -4.84 117.98 112.78 1ji8 s PHE 23 Ca 0.07 -0.07 -0.29 0.00 0.33 0.00 0.00 56.93 56.97 1ji8 s PHE 23 Cb -0.04 -1.54 -0.01 0.00 -1.31 0.00 0.00 43.02 40.13 1ji8 s PHE 23 CO 0.89 0.42 1.35 1.41 1.83 0.00 0.00 175.22 181.12 1ji8 s MET 24 N -1.92 3.96 -0.18 10.12 -2.45 -1.26 -1.98 119.30 125.59 1ji8 s MET 24 Ca 0.21 1.40 0.03 0.00 -1.25 0.00 0.00 55.69 56.07 1ji8 s MET 24 Cb -0.11 -3.88 0.31 0.00 1.25 0.00 0.00 34.83 32.39 1ji8 s MET 24 CO 0.13 -1.07 1.34 0.94 1.05 0.00 0.00 175.02 177.41 1ji8 n GLN 25 N 7.23 1.76 -2.71 4.11 7.27 -0.97 -4.33 117.38 129.75 1ji8 n GLN 25 Ca 0.15 -1.33 -0.06 0.00 0.07 0.00 0.00 57.00 55.83 1ji8 n GLN 25 Cb 0.46 -1.58 0.07 0.00 2.41 0.00 0.00 30.24 31.60 1ji8 n GLN 25 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1ji8 n ASN 26 N -0.13 -2.10 0.00 1.69 6.94 -1.26 -4.89 115.26 115.51 1ji8 n ASN 26 Ca 0.24 -2.58 0.09 0.00 -0.02 0.00 0.00 54.58 52.31 1ji8 n ASN 26 Cb 0.95 1.31 0.46 0.00 -2.36 0.00 0.00 39.78 40.14 1ji8 n ASN 26 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1ji8 n PRO 27 N 1.50 0.19 0.21 -0.53 -0.04 -1.26 -2.70 135.00 132.36 1ji8 n PRO 27 Ca 0.05 0.13 0.10 0.00 -0.04 0.00 0.00 63.50 63.74 1ji8 n PRO 27 Cb 0.67 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.85 1ji8 n PRO 27 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ji8 h GLU 28 N 0.00 0.00 -0.96 0.54 4.22 -1.93 -3.23 114.58 113.22 1ji8 h GLU 28 Ca 0.00 0.00 -0.65 0.00 0.08 0.00 0.00 59.36 58.79 1ji8 h GLU 28 Cb 0.22 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.16 1ji8 h GLU 28 CO 0.00 0.15 0.61 -3.47 -2.18 0.00 0.00 179.01 174.12 1ji8 n ASP 29 N -3.16 7.11 -4.75 1.04 2.03 -1.10 -5.00 116.55 112.72 1ji8 n ASP 29 Ca 0.03 -3.78 -0.41 0.00 0.52 0.00 0.00 54.79 51.15 1ji8 n ASP 29 Cb 0.55 -0.88 -0.03 0.00 -0.72 0.00 0.00 41.12 40.04 1ji8 n ASP 29 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1ji8 s TRP 30 N -3.77 3.38 0.30 -0.67 -0.00 -1.22 -5.01 118.94 111.95 1ji8 s TRP 30 Ca 0.62 1.47 0.02 0.00 -0.00 0.00 0.00 56.10 58.22 1ji8 s TRP 30 Cb 0.49 -3.45 -0.01 0.00 -0.00 0.00 0.00 33.47 30.50 1ji8 s TRP 30 CO 0.00 -1.22 0.35 -3.47 -0.00 0.00 0.00 176.95 172.61 1ji8 n ASP 31 N 1.88 -0.95 0.15 5.86 2.03 -1.26 -5.03 116.55 119.23 1ji8 n ASP 31 Ca 0.02 -2.78 -0.07 0.00 0.52 0.00 0.00 54.79 52.49 1ji8 n ASP 31 Cb 0.44 1.90 -0.03 0.00 -0.72 0.00 0.00 41.12 42.71 1ji8 n ASP 31 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1ji8 h GLU 32 N 0.00 -0.42 -0.38 -0.67 5.08 -2.00 -2.06 114.58 114.14 1ji8 h GLU 32 Ca -0.22 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1ji8 h GLU 32 Cb 1.05 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1ji8 h GLU 32 CO 0.31 -0.28 0.36 0.87 -1.00 0.00 0.00 179.01 179.27 1ji8 h LYS 33 N -0.89 0.00 0.22 2.33 1.57 -1.99 -2.22 116.57 115.60 1ji8 h LYS 33 Ca -0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1ji8 h LYS 33 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1ji8 h LYS 33 CO 0.07 0.00 -0.11 0.28 -0.57 0.00 0.00 179.45 179.13 1ji8 h VAL 34 N 0.00 0.50 -0.32 0.50 2.07 -1.94 -1.82 116.25 115.23 1ji8 h VAL 34 Ca 0.18 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 66.80 1ji8 h VAL 34 Cb 0.90 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 1ji8 h VAL 34 CO -0.00 0.13 -0.13 0.00 0.02 0.00 0.00 177.57 177.60 1ji8 h ALA 35 N -0.65 0.15 -0.30 1.67 0.00 -0.86 -1.73 119.26 117.54 1ji8 h ALA 35 Ca -0.03 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ji8 h ALA 35 Cb 0.45 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1ji8 h ALA 35 CO 0.05 -0.51 0.17 1.49 0.00 0.00 0.00 179.25 180.46 1ji8 h GLU 36 N -0.06 0.40 -0.59 0.00 4.81 -1.53 -2.11 114.58 115.51 1ji8 h GLU 36 Ca 0.16 -0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.47 1ji8 h GLU 36 Cb 0.31 -0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.52 1ji8 h GLU 36 CO -0.37 0.32 0.10 2.35 -0.73 0.00 0.00 179.01 180.68 1ji8 h TRP 37 N 0.37 0.15 -0.54 0.92 7.01 -0.66 -0.48 115.95 122.74 1ji8 h TRP 37 Ca 0.11 0.04 -0.07 0.00 2.11 0.00 0.00 58.89 61.07 1ji8 h TRP 37 Cb 0.03 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.08 1ji8 h TRP 37 CO -0.04 -0.05 0.05 1.25 -2.79 0.00 0.00 178.44 176.86 1ji8 h LEU 38 N 0.23 0.83 -1.07 0.65 6.46 -1.07 -1.69 115.31 119.65 1ji8 h LEU 38 Ca 0.31 -0.19 0.03 0.00 -0.12 0.00 0.00 57.88 57.91 1ji8 h LEU 38 Cb 0.46 -0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 40.12 1ji8 h LEU 38 CO -0.41 0.86 0.63 0.00 -0.62 0.00 0.00 178.44 178.90 1ji8 h ALA 39 N 1.23 1.37 0.05 1.25 0.00 -0.42 -1.37 119.26 121.38 1ji8 h ALA 39 Ca 0.17 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.77 1ji8 h ALA 39 Cb 0.41 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ji8 h ALA 39 CO 0.01 0.54 -1.07 -0.09 0.00 0.00 0.00 179.25 178.64 1ji8 h ARG 40 N 1.22 0.48 -0.23 0.00 1.12 -1.08 -1.93 114.38 113.96 1ji8 h ARG 40 Ca 0.37 -0.58 -0.05 0.00 -1.11 0.00 0.00 59.98 58.62 1ji8 h ARG 40 Cb -0.02 0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 30.11 1ji8 h ARG 40 CO -0.11 1.22 -0.06 1.49 -3.11 0.00 0.00 179.97 179.40 1ji8 h GLU 41 N 0.24 0.35 0.00 0.20 4.57 -0.86 -2.41 114.58 116.66 1ji8 h GLU 41 Ca -0.12 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1ji8 h GLU 41 Cb 1.74 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.27 1ji8 h GLU 41 CO 0.19 0.43 0.00 1.28 -1.18 0.00 0.00 179.01 179.73 1ji8 n LEU 42 N -4.30 0.40 -0.05 1.64 4.77 -0.56 -4.46 117.00 114.45 1ji8 n LEU 42 Ca 0.00 0.25 -0.01 0.00 -0.03 0.00 0.00 56.01 56.23 1ji8 n LEU 42 Cb 0.24 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1ji8 n LEU 42 CO 0.38 -0.40 -0.04 -0.08 -1.33 0.00 0.00 177.39 175.92 1ji8 h GLU 43 N 0.00 0.00 0.00 3.23 4.22 -1.51 -3.45 114.58 117.07 1ji8 h GLU 43 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1ji8 h GLU 43 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ji8 h GLU 43 CO 0.00 0.00 0.00 0.41 -2.18 0.00 0.00 179.01 177.24 1ji8 n GLY 44 N 1.77 0.46 3.52 1.92 0.00 -0.84 -4.92 105.19 107.10 1ji8 n GLY 44 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1ji8 n GLY 44 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ji8 n ILE 45 N 0.00 -0.02 1.21 -0.61 5.41 -1.23 -4.53 119.36 119.58 1ji8 n ILE 45 Ca 0.00 -0.35 0.13 0.00 1.00 0.00 0.00 62.75 63.53 1ji8 n ILE 45 Cb 0.00 -1.13 0.38 0.00 -0.71 0.00 0.00 39.64 38.19 1ji8 n ILE 45 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1ji8 n GLN 46 N 8.05 0.62 -3.50 0.38 0.00 -1.26 -2.60 117.38 119.07 1ji8 n GLN 46 Ca 0.57 -0.34 -0.28 0.00 -0.00 0.00 0.00 57.00 56.95 1ji8 n GLN 46 Cb 0.22 -1.49 -0.13 0.00 0.00 0.00 0.00 30.24 28.84 1ji8 n GLN 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1ji8 s LYS 47 N -2.62 0.34 0.08 3.69 2.47 -1.26 -5.00 119.74 117.44 1ji8 s LYS 47 Ca 0.22 -0.80 -0.31 0.00 -1.56 0.00 0.00 55.97 53.52 1ji8 s LYS 47 Cb 0.19 -1.16 -0.08 0.00 -1.46 0.00 0.00 37.83 35.32 1ji8 s LYS 47 CO 0.55 -1.09 1.56 -1.64 0.16 0.00 0.00 175.35 174.89 1ji8 s MET 48 N 1.73 4.23 0.89 4.03 -1.94 -1.26 -5.00 119.30 121.98 1ji8 s MET 48 Ca 0.12 2.23 -0.13 0.00 -1.71 0.00 0.00 55.69 56.20 1ji8 s MET 48 Cb -0.18 -3.47 0.13 0.00 2.01 0.00 0.00 34.83 33.32 1ji8 s MET 48 CO -0.22 -0.64 1.21 -0.08 -0.01 0.00 0.00 175.02 175.27 1ji8 s THR 49 N 2.14 1.98 0.38 2.05 -1.32 -1.26 -4.85 115.64 114.76 1ji8 s THR 49 Ca 0.70 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 61.23 1ji8 s THR 49 Cb -0.38 -2.93 0.27 0.00 -1.51 0.00 0.00 72.50 67.95 1ji8 s THR 49 CO 0.31 0.00 2.02 -0.33 -2.21 0.00 0.00 174.62 174.41 1ji8 h GLU 50 N -1.37 0.68 0.00 7.08 5.08 -2.01 -0.96 114.58 123.08 1ji8 h GLU 50 Ca -0.46 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 57.81 1ji8 h GLU 50 Cb 1.30 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1ji8 h GLU 50 CO 0.56 0.45 -0.21 0.93 -1.00 0.00 0.00 179.01 179.75 1ji8 h GLU 51 N 0.70 0.00 0.22 2.33 5.08 -1.99 -2.39 114.58 118.54 1ji8 h GLU 51 Ca 0.22 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1ji8 h GLU 51 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1ji8 h GLU 51 CO -0.05 0.21 -0.11 0.45 -1.00 0.00 0.00 179.01 178.51 1ji8 h HIS 52 N 0.00 -0.28 -1.04 4.33 3.86 -1.52 -2.26 115.15 118.25 1ji8 h HIS 52 Ca -0.00 -0.01 0.29 0.00 -1.16 0.00 0.00 60.37 59.50 1ji8 h HIS 52 Cb 0.38 0.09 -0.05 0.00 1.06 0.00 0.00 27.41 28.90 1ji8 h HIS 52 CO 0.00 -0.17 0.74 -1.49 0.86 0.00 0.00 177.93 177.86 1ji8 h TRP 53 N -0.52 0.09 0.45 2.45 -0.00 -1.56 -1.41 115.95 115.46 1ji8 h TRP 53 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.84 1ji8 h TRP 53 Cb 0.23 -0.03 0.00 0.00 -0.00 0.00 0.00 29.16 29.37 1ji8 h TRP 53 CO 0.07 0.01 -0.22 -0.22 -0.00 0.00 0.00 178.44 178.08 1ji8 h LYS 54 N 0.05 -0.59 -0.44 0.49 3.11 -1.41 -1.12 116.57 116.67 1ji8 h LYS 54 Ca 0.50 0.04 0.09 0.00 -2.81 0.00 0.00 60.65 58.47 1ji8 h LYS 54 Cb 1.91 0.13 -0.08 0.00 -1.00 0.00 0.00 32.23 33.19 1ji8 h LYS 54 CO -0.04 -0.29 -0.06 1.25 -2.81 0.00 0.00 179.45 177.50 1ji8 h LEU 55 N -1.01 -0.31 -1.64 5.20 5.85 -0.66 0.92 115.31 123.67 1ji8 h LEU 55 Ca -0.06 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1ji8 h LEU 55 Cb 0.57 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1ji8 h LEU 55 CO 0.10 -0.11 -0.00 0.58 -0.34 0.00 0.00 178.44 178.67 1ji8 h VAL 56 N 0.05 1.11 -0.04 1.05 2.07 -1.43 -2.32 116.25 116.74 1ji8 h VAL 56 Ca 0.22 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1ji8 h VAL 56 Cb 0.33 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1ji8 h VAL 56 CO -0.42 0.14 0.02 0.50 0.02 0.00 0.00 177.57 177.83 1ji8 h LYS 57 N 0.22 0.06 -0.34 1.57 3.11 0.51 -2.23 116.57 119.48 1ji8 h LYS 57 Ca 0.05 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.86 1ji8 h LYS 57 Cb 0.16 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.36 1ji8 h LYS 57 CO 0.00 0.16 0.13 -0.92 -2.81 0.00 0.00 179.45 176.01 1ji8 h TYR 58 N -0.05 0.52 -0.94 1.91 5.03 -1.11 -2.76 116.97 119.58 1ji8 h TYR 58 Ca 0.01 -0.04 0.14 0.00 2.58 0.00 0.00 58.73 61.42 1ji8 h TYR 58 Cb 0.12 -0.15 -0.09 0.00 1.55 0.00 0.00 36.73 38.15 1ji8 h TYR 58 CO -0.03 0.50 0.55 -0.07 -1.32 0.00 0.00 178.16 177.79 1ji8 h LEU 59 N 0.39 0.75 -0.95 2.82 -0.00 -1.32 -0.33 115.31 116.67 1ji8 h LEU 59 Ca 0.11 0.07 0.10 0.00 -0.00 0.00 0.00 57.88 58.17 1ji8 h LEU 59 Cb 0.21 -0.06 -0.08 0.00 -0.00 0.00 0.00 40.66 40.72 1ji8 h LEU 59 CO -0.01 0.35 0.59 0.03 -0.00 0.00 0.00 178.44 179.40 1ji8 h ARG 60 N 0.80 0.95 -0.64 1.13 3.08 -1.10 -1.37 114.38 117.23 1ji8 h ARG 60 Ca 0.50 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.52 1ji8 h ARG 60 Cb 0.63 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1ji8 h ARG 60 CO -0.32 0.63 0.39 0.93 -1.07 0.00 0.00 179.97 180.53 1ji8 h GLU 61 N 0.98 0.74 -0.59 0.04 4.39 -1.04 0.28 114.58 119.38 1ji8 h GLU 61 Ca 0.46 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 60.02 1ji8 h GLU 61 Cb 0.39 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1ji8 h GLU 61 CO -0.24 0.49 -0.00 -0.92 -1.16 0.00 0.00 179.01 177.18 1ji8 h TYR 62 N 0.76 1.11 0.00 4.33 5.03 -1.20 -0.72 116.97 126.28 1ji8 h TYR 62 Ca 0.26 -0.19 0.00 0.00 2.58 0.00 0.00 58.73 61.39 1ji8 h TYR 62 Cb 0.05 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.03 1ji8 h TYR 62 CO -0.05 0.99 0.00 1.87 -1.32 0.00 0.00 178.16 179.64 1ji8 n TRP 63 N -4.18 0.31 -0.02 -3.82 -0.00 -0.73 -3.31 117.44 105.69 1ji8 n TRP 63 Ca 0.03 0.09 0.01 0.00 -0.00 0.00 0.00 57.50 57.63 1ji8 n TRP 63 Cb 0.34 -0.65 -0.13 0.00 -0.00 0.00 0.00 31.31 30.87 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 -1.76 0.65 -0.03 5.87 4.07 0.95 -3.42 120.64 126.97 1ji8 n GLU 64 Ca 0.06 0.03 0.20 0.00 -0.06 0.00 0.00 57.16 57.39 1ji8 n GLU 64 Cb 0.36 -1.64 0.67 0.00 -0.06 0.00 0.00 31.44 30.76 1ji8 n GLU 64 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 1ji8 h THR 65 N 0.00 0.73 0.00 6.31 2.02 -1.14 -3.42 112.91 117.41 1ji8 h THR 65 Ca -0.23 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1ji8 h THR 65 Cb 1.59 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 1ji8 h THR 65 CO 0.03 0.01 0.00 0.49 0.37 0.00 0.00 175.52 176.42 1ji8 n PHE 66 N -4.39 -3.32 0.00 3.16 3.72 -1.26 -5.09 117.46 110.29 1ji8 n PHE 66 Ca 0.11 0.73 0.00 0.00 -0.05 0.00 0.00 57.45 58.24 1ji8 n PHE 66 Cb 0.62 2.05 0.00 0.00 -0.94 0.00 0.00 39.48 41.20 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 -1.42 -0.94 3.61 1.37 0.00 -1.22 -5.09 105.19 101.49 1ji8 n GLY 67 Ca 0.00 0.36 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 1ji8 n GLY 67 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ji8 n THR 68 N 0.00 0.00 -2.91 2.61 -1.04 -1.26 -5.07 114.28 106.61 1ji8 n THR 68 Ca 0.00 -1.31 -0.07 0.00 -2.04 0.00 0.00 64.05 60.64 1ji8 n THR 68 Cb 0.00 1.03 -0.01 0.00 -1.82 0.00 0.00 70.33 69.54 1ji8 n THR 68 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ji8 s PRO 70 N 0.91 0.59 0.00 0.00 0.04 -1.26 -4.90 135.00 130.38 1ji8 s PRO 70 Ca 0.28 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1ji8 s PRO 70 Cb -0.01 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1ji8 s PRO 70 CO -0.07 -2.56 0.00 -0.35 0.04 0.00 0.00 177.00 174.06 1ji8 n PRO 71 N -4.01 1.06 -0.14 0.56 -0.04 -1.26 -4.81 135.00 126.36 1ji8 n PRO 71 Ca 0.07 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.59 1ji8 n PRO 71 Cb 0.59 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.16 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 -0.33 1.47 0.00 0.52 3.06 -1.26 -4.65 119.36 118.17 1ji8 n ILE 72 Ca 0.00 -1.49 0.00 0.00 -2.50 0.00 0.00 62.75 58.76 1ji8 n ILE 72 Cb 0.00 0.17 0.00 0.00 0.54 0.00 0.00 39.64 40.35 1ji8 n ILE 72 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 1ji8 n LYS 73 N -0.53 0.00 0.02 9.51 4.81 -1.26 -1.93 118.16 128.78 1ji8 n LYS 73 Ca 0.11 0.26 0.06 0.00 -0.87 0.00 0.00 58.31 57.86 1ji8 n LYS 73 Cb 0.51 -1.17 0.25 0.00 0.02 0.00 0.00 35.03 34.64 1ji8 n LYS 73 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ji8 n MET 74 N -1.27 0.02 0.08 1.64 0.00 -1.26 -2.26 117.12 114.07 1ji8 n MET 74 Ca 0.00 0.35 -0.12 0.00 0.00 0.00 0.00 57.70 57.93 1ji8 n MET 74 Cb 0.00 -1.55 -0.06 0.00 0.00 0.00 0.00 33.22 31.61 1ji8 n MET 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1ji8 h VAL 75 N 0.00 1.47 -0.11 3.17 2.07 -1.81 -3.23 116.25 117.82 1ji8 h VAL 75 Ca 0.00 -2.70 -0.10 0.00 0.82 0.00 0.00 66.70 64.72 1ji8 h VAL 75 Cb 0.18 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1ji8 h VAL 75 CO 0.00 0.79 -0.37 0.74 0.02 0.00 0.00 177.57 178.76 1ji8 h THR 76 N 0.14 1.29 -1.13 2.57 2.02 -0.94 -2.84 112.91 114.02 1ji8 h THR 76 Ca -0.08 -1.40 0.33 0.00 0.77 0.00 0.00 66.41 66.03 1ji8 h THR 76 Cb 1.65 1.61 -0.05 0.00 -1.74 0.00 0.00 68.15 69.63 1ji8 h THR 76 CO 0.16 0.42 1.05 0.50 0.37 0.00 0.00 175.52 178.02 1ji8 h LYS 77 N 0.20 0.00 0.00 6.66 3.64 -1.64 0.44 116.57 125.86 1ji8 h LYS 77 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1ji8 h LYS 77 Cb 0.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1ji8 h LYS 77 CO 0.06 0.00 -0.54 -1.91 -2.27 0.00 0.00 179.45 174.79 1ji8 n GLU 78 N -3.63 0.29 -0.12 1.90 2.13 -1.10 -4.70 120.64 115.41 1ji8 n GLU 78 Ca 0.25 0.11 -0.06 0.00 0.66 0.00 0.00 57.16 58.12 1ji8 n GLU 78 Cb 1.40 -0.98 0.00 0.00 0.27 0.00 0.00 31.44 32.14 1ji8 n GLU 78 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 1ji8 h THR 79 N -0.54 0.32 0.00 6.31 1.35 -1.33 -3.45 112.91 115.56 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 0.54 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 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 -1.40 0.49 3.59 5.82 0.00 0.13 -4.95 105.19 108.86 1ji8 n GLY 80 Ca 0.02 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.94 1.87 -1.63 1.61 3.72 -1.26 -4.85 117.46 113.97 1ji8 n PHE 81 Ca 0.00 -0.08 -0.54 0.00 -0.05 0.00 0.00 57.45 56.77 1ji8 n PHE 81 Cb 0.00 -2.71 -0.06 0.00 -0.94 0.00 0.00 39.48 35.76 1ji8 n PHE 81 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ji8 n SER 82 N 12.30 1.87 -0.22 4.37 2.88 -1.26 -4.76 113.62 128.80 1ji8 n SER 82 Ca 0.31 1.10 0.30 0.00 -1.33 0.00 0.00 58.87 59.26 1ji8 n SER 82 Cb 0.46 -1.16 0.72 0.00 -0.75 0.00 0.00 64.21 63.47 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 5.48 0.02 0.03 2.46 5.85 -2.00 -0.31 115.31 126.85 1ji8 h LEU 83 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1ji8 h LEU 83 Cb 1.33 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 1ji8 h LEU 83 CO 0.84 0.01 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.59 1ji8 h GLU 84 N 0.02 -0.06 -0.04 1.25 3.07 -1.99 -0.32 114.58 116.51 1ji8 h GLU 84 Ca 0.47 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.35 1ji8 h GLU 84 Cb 1.84 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.75 1ji8 h GLU 84 CO -0.02 -0.04 -0.04 0.87 -1.40 0.00 0.00 179.01 178.38 1ji8 h LYS 85 N -0.06 -0.05 -0.08 2.33 1.57 -1.40 -0.95 116.57 117.94 1ji8 h LYS 85 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1ji8 h LYS 85 Cb 0.06 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1ji8 h LYS 85 CO -0.01 -0.03 0.07 0.82 -0.57 0.00 0.00 179.45 179.73 1ji8 h ILE 86 N -0.05 0.66 -0.14 1.86 2.04 -1.32 -1.44 117.51 119.12 1ji8 h ILE 86 Ca 0.03 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.66 1ji8 h ILE 86 Cb 0.09 0.95 0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1ji8 h ILE 86 CO -0.07 0.00 -0.79 1.88 0.00 0.00 0.00 178.15 179.17 1ji8 h TYR 87 N 0.00 1.05 -0.29 1.37 0.05 0.25 -1.67 116.97 117.74 1ji8 h TYR 87 Ca 0.04 -0.47 -0.11 0.00 0.05 0.00 0.00 58.73 58.23 1ji8 h TYR 87 Cb 0.18 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 1ji8 h TYR 87 CO 0.00 1.30 -0.29 1.96 -1.05 0.00 0.00 178.16 180.09 1ji8 h GLN 88 N 0.53 0.59 0.28 4.88 4.20 -0.41 -3.29 115.11 121.88 1ji8 h GLN 88 Ca -0.06 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.39 1ji8 h GLN 88 Cb 1.42 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.18 1ji8 h GLN 88 CO 0.16 0.81 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.93 1ji8 h LEU 89 N 0.51 -0.31 -7.62 1.46 3.38 -1.40 -3.44 115.31 107.88 1ji8 h LEU 89 Ca 0.06 -0.04 -0.51 0.00 0.09 0.00 0.00 57.88 57.48 1ji8 h LEU 89 Cb 0.76 0.08 -0.37 0.00 0.09 0.00 0.00 40.66 41.21 1ji8 h LEU 89 CO 0.06 0.16 -0.79 0.12 0.09 0.00 0.00 178.44 178.07 1ji8 s PHE 90 N -2.88 1.34 0.93 1.13 2.19 -0.63 -5.04 117.98 115.01 1ji8 s PHE 90 Ca -0.07 -0.69 -0.16 0.00 0.33 0.00 0.00 56.93 56.34 1ji8 s PHE 90 Cb 0.01 -1.15 0.23 0.00 -1.31 0.00 0.00 43.02 40.79 1ji8 s PHE 90 CO 0.21 -0.50 0.92 -0.35 1.83 0.00 0.00 175.22 177.33 1ji8 n PRO 91 N 4.98 -2.26 -1.45 10.12 -0.04 -1.24 -3.80 135.00 141.30 1ji8 n PRO 91 Ca -0.11 -1.46 -0.16 0.00 -0.04 0.00 0.00 63.50 61.73 1ji8 n PRO 91 Cb 0.49 -1.25 -0.07 0.00 -0.04 0.00 0.00 33.50 32.64 1ji8 n PRO 91 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ji8 n SER 92 N -4.27 -4.34 -1.26 3.54 7.64 -1.26 -4.49 113.62 109.18 1ji8 n SER 92 Ca 0.12 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1ji8 n SER 92 Cb 0.47 -3.88 0.00 0.00 -1.01 0.00 0.00 64.21 59.78 1ji8 n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ji8 n GLY 93 N -0.26 -3.85 0.00 0.23 0.00 -1.25 -4.91 105.19 95.15 1ji8 n GLY 93 Ca -0.16 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.31 0.00 0.00 1.61 -0.04 -1.26 -4.48 135.00 128.52 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 0.37 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.65 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 0.07 0.55 0.00 -1.26 -0.58 120.51 116.29 1ji8 n ALA 95 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1ji8 n ALA 95 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.26 -0.65 0.00 3.86 -1.88 -3.24 115.15 112.99 1ji8 h HIS 96 Ca 0.00 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.30 1ji8 h HIS 96 Cb 0.00 0.08 -0.11 0.00 1.06 0.00 0.00 27.41 28.44 1ji8 h HIS 96 CO 0.00 0.10 -0.45 0.78 0.86 0.00 0.00 177.93 179.21 1ji8 h GLY 97 N -0.95 -0.49 -0.73 2.45 0.00 -1.07 0.35 103.07 102.63 1ji8 h GLY 97 Ca -0.03 0.60 0.28 0.00 0.00 0.00 0.00 47.33 48.18 1ji8 h GLY 97 CO 0.05 -0.14 0.20 0.00 0.00 0.00 0.00 176.54 176.65 1ji8 h ALA 98 N 0.63 1.37 0.34 3.60 0.00 -1.66 0.30 119.26 123.85 1ji8 h ALA 98 Ca 0.19 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 1ji8 h ALA 98 Cb 0.55 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1ji8 h ALA 98 CO -0.74 -0.58 -0.16 0.00 0.00 0.00 0.00 179.25 177.77 1ji8 h LYS 100 N -0.72 0.16 0.04 0.00 1.63 -0.05 0.47 116.57 118.10 1ji8 h LYS 100 Ca -0.05 -0.01 -0.23 0.00 -0.85 0.00 0.00 60.65 59.51 1ji8 h LYS 100 Cb 0.49 -0.04 0.02 0.00 -0.60 0.00 0.00 32.23 32.11 1ji8 h LYS 100 CO 0.08 0.10 -0.94 0.28 -3.45 0.00 0.00 179.45 175.52 1ji8 h VAL 101 N 0.16 1.34 -0.64 2.00 2.07 -1.18 -3.28 116.25 116.71 1ji8 h VAL 101 Ca 0.79 -2.26 0.10 0.00 0.82 0.00 0.00 66.70 66.15 1ji8 h VAL 101 Cb 2.13 2.58 -0.08 0.00 -1.52 0.00 0.00 31.29 34.41 1ji8 h VAL 101 CO -0.56 0.68 0.24 0.00 0.02 0.00 0.00 177.57 177.95 1ji8 h ALA 102 N 0.32 0.85 0.00 1.67 0.00 0.85 -3.46 119.26 119.49 1ji8 h ALA 102 Ca -0.13 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ji8 h ALA 102 Cb 1.63 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1ji8 h ALA 102 CO 0.18 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1ji8 n GLY 103 N -1.30 0.69 3.65 0.00 0.00 -0.71 -4.98 105.19 102.54 1ji8 n GLY 103 Ca 0.10 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.69 3.57 0.00 4.61 0.00 -1.25 -4.85 121.76 123.15 1ji8 s ALA 104 Ca 0.00 0.09 -0.22 0.00 0.00 0.00 0.00 51.96 51.83 1ji8 s ALA 104 Cb 0.00 -3.63 -0.19 0.00 0.00 0.00 0.00 23.12 19.30 1ji8 s ALA 104 CO 0.00 -1.32 1.20 -1.00 0.00 0.00 0.00 175.76 174.64 1ji8 h PRO 105 N 7.96 0.30 -6.33 0.00 0.13 -1.97 -3.44 132.00 128.65 1ji8 h PRO 105 Ca -0.21 -0.23 -0.57 0.00 -0.87 0.00 0.00 66.00 64.13 1ji8 h PRO 105 Cb 1.07 0.04 0.02 0.00 0.13 0.00 0.00 31.00 32.26 1ji8 h PRO 105 CO 1.01 0.86 1.17 1.17 -0.23 0.00 0.00 178.00 181.98 1ji8 n LYS 106 N -4.49 2.58 -2.23 0.86 4.81 -1.26 -4.86 118.16 113.57 1ji8 n LYS 106 Ca -0.08 0.95 -0.38 0.00 -0.87 0.00 0.00 58.31 57.93 1ji8 n LYS 106 Cb 0.46 -2.85 -0.03 0.00 0.02 0.00 0.00 35.03 32.62 1ji8 n LYS 106 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1ji8 s PRO 107 N 4.20 2.85 -0.65 1.64 0.04 -1.26 -4.91 135.00 136.90 1ji8 s PRO 107 Ca 0.90 0.13 -0.26 0.00 0.04 0.00 0.00 61.00 61.81 1ji8 s PRO 107 Cb -0.54 -4.48 -0.12 0.00 0.04 0.00 0.00 34.50 29.40 1ji8 s PRO 107 CO 0.46 -2.60 2.45 2.41 0.04 0.00 0.00 177.00 179.76 1ji8 n THR 108 N 7.02 -0.05 0.00 1.26 -1.04 -1.26 -3.85 114.28 116.36 1ji8 n THR 108 Ca 0.19 -0.61 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 1ji8 n THR 108 Cb 0.50 -2.15 0.00 0.00 -1.82 0.00 0.00 70.33 66.87 1ji8 n THR 108 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ji8 n GLY 109 N 6.22 -0.28 2.73 3.41 0.00 -1.26 -5.04 105.19 110.97 1ji8 n GLY 109 Ca 0.45 0.02 -0.08 0.00 0.00 0.00 0.00 46.02 46.41 1ji8 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32