#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 -0.62 0.03 0.03 0.04 -1.26 -4.95 135.00 128.27 1ji8 s PRO 2 Ca 0.00 -0.19 -0.30 0.00 0.04 0.00 0.00 61.00 60.54 1ji8 s PRO 2 Cb 0.00 -1.68 -0.06 0.00 0.04 0.00 0.00 34.50 32.80 1ji8 s PRO 2 CO 0.00 -3.29 1.46 0.08 0.04 0.00 0.00 177.00 175.28 1ji8 s VAL 3 N -3.31 3.49 -0.09 -0.36 1.01 -1.26 -5.00 120.40 114.89 1ji8 s VAL 3 Ca 0.72 0.93 0.03 0.00 0.00 0.00 0.00 61.98 63.67 1ji8 s VAL 3 Cb -0.08 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1ji8 s VAL 3 CO 0.55 0.01 -0.19 -0.75 0.00 0.00 0.00 175.10 174.72 1ji8 s LYS 4 N 2.25 2.88 0.08 2.72 2.47 -1.26 -5.12 119.74 123.76 1ji8 s LYS 4 Ca 0.66 -0.79 0.02 0.00 -1.56 0.00 0.00 55.97 54.30 1ji8 s LYS 4 Cb -0.34 -2.37 -0.04 0.00 -1.46 0.00 0.00 37.83 33.62 1ji8 s LYS 4 CO 0.28 0.34 0.14 0.00 0.16 0.00 0.00 175.35 176.28 1ji8 s PRO 6 N -2.50 2.14 -0.20 0.00 0.04 -1.20 -4.83 135.00 128.45 1ji8 s PRO 6 Ca 0.32 0.53 -0.32 0.00 0.04 0.00 0.00 61.00 61.57 1ji8 s PRO 6 Cb -0.12 -1.93 0.15 0.00 0.04 0.00 0.00 34.50 32.63 1ji8 s PRO 6 CO 0.25 -1.56 1.19 0.20 0.04 0.00 0.00 177.00 177.12 1ji8 s GLY 7 N -4.06 -0.19 0.14 0.56 0.00 -0.73 -4.97 107.32 98.07 1ji8 s GLY 7 Ca 0.61 2.02 0.07 0.00 0.00 0.00 0.00 44.72 47.41 1ji8 s GLY 7 CO 0.53 0.80 -0.04 1.85 0.00 0.00 0.00 173.10 176.25 1ji8 s GLU 8 N -1.76 2.32 0.07 2.90 2.12 -1.26 -0.39 118.70 122.70 1ji8 s GLU 8 Ca 0.06 -1.05 -0.12 0.00 0.36 0.00 0.00 54.97 54.22 1ji8 s GLU 8 Cb -0.01 -2.36 0.01 0.00 0.26 0.00 0.00 34.13 32.04 1ji8 s GLU 8 CO -0.04 0.48 0.27 0.71 -0.54 0.00 0.00 175.26 176.14 1ji8 s TYR 9 N -1.52 -0.02 0.02 5.30 1.51 -0.93 -4.98 117.35 116.72 1ji8 s TYR 9 Ca 0.25 -0.24 0.03 0.00 -1.01 0.00 0.00 57.07 56.11 1ji8 s TYR 9 Cb -0.10 0.06 -0.03 0.00 -0.11 0.00 0.00 41.96 41.77 1ji8 s TYR 9 CO 0.17 -0.53 -0.06 -1.14 -1.11 0.00 0.00 175.55 172.88 1ji8 s GLN 10 N -3.11 2.55 -0.22 -0.62 2.00 -1.26 -1.52 119.66 117.48 1ji8 s GLN 10 Ca -0.01 -0.74 -0.03 0.00 -2.00 0.00 0.00 55.36 52.58 1ji8 s GLN 10 Cb 0.01 -2.51 0.11 0.00 0.80 0.00 0.00 33.01 31.43 1ji8 s GLN 10 CO -0.07 0.59 0.31 0.08 -0.50 0.00 0.00 175.29 175.71 1ji8 s VAL 11 N -1.04 -0.49 0.00 1.34 1.01 -1.00 -4.96 120.40 115.25 1ji8 s VAL 11 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1ji8 s VAL 11 Cb -0.11 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.52 1ji8 s VAL 11 CO 0.09 -0.14 0.00 -0.67 0.00 0.00 0.00 175.10 174.38 1ji8 n ASP 12 N 5.35 0.00 -2.57 3.32 2.03 -1.26 -2.38 116.55 121.04 1ji8 n ASP 12 Ca -0.05 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.98 1ji8 n ASP 12 Cb 0.50 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.85 1ji8 n ASP 12 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ji8 n GLY 13 N 0.00 4.48 3.40 0.27 0.00 -1.26 -4.87 105.19 107.21 1ji8 n GLY 13 Ca 0.00 -1.94 -0.15 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.88 0.78 -0.06 1.61 1.02 -1.00 -5.16 119.74 115.05 1ji8 s LYS 14 Ca 0.58 0.30 -0.05 0.00 0.02 0.00 0.00 55.97 56.82 1ji8 s LYS 14 Cb 0.38 0.37 -0.04 0.00 -0.52 0.00 0.00 37.83 38.02 1ji8 s LYS 14 CO -0.23 -0.19 0.16 0.21 -0.92 0.00 0.00 175.35 174.38 1ji8 s LYS 15 N -0.70 3.44 0.22 1.68 2.47 -1.26 -2.39 119.74 123.21 1ji8 s LYS 15 Ca -0.08 -0.23 0.06 0.00 -1.56 0.00 0.00 55.97 54.17 1ji8 s LYS 15 Cb -0.03 -3.14 -0.05 0.00 -1.46 0.00 0.00 37.83 33.15 1ji8 s LYS 15 CO 0.05 0.73 -0.09 0.08 0.16 0.00 0.00 175.35 176.27 1ji8 s VAL 16 N -1.18 1.51 0.16 4.02 1.01 -0.58 -4.94 120.40 120.40 1ji8 s VAL 16 Ca 0.21 -2.14 -0.10 0.00 0.00 0.00 0.00 61.98 59.95 1ji8 s VAL 16 Cb -0.12 -2.18 -0.00 0.00 0.00 0.00 0.00 36.38 34.07 1ji8 s VAL 16 CO 0.12 -0.49 0.31 -0.51 0.00 0.00 0.00 175.10 174.53 1ji8 s ILE 17 N -3.11 0.07 -0.12 2.22 2.07 -1.26 -2.19 121.20 118.88 1ji8 s ILE 17 Ca 0.25 -1.24 -0.02 0.00 -1.41 0.00 0.00 60.65 58.22 1ji8 s ILE 17 Cb 0.02 -1.72 0.04 0.00 0.13 0.00 0.00 42.46 40.93 1ji8 s ILE 17 CO 0.08 -0.31 0.03 -0.76 -1.91 0.00 0.00 174.94 172.07 1ji8 s LEU 18 N -2.94 0.66 0.00 8.50 1.43 0.48 -4.22 118.68 122.60 1ji8 s LEU 18 Ca 0.14 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1ji8 s LEU 18 Cb 0.03 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 45.83 1ji8 s LEU 18 CO -0.02 -0.25 0.00 -0.67 0.23 0.00 0.00 176.35 175.63 1ji8 n ASP 19 N 5.16 -1.68 0.29 2.29 2.03 -0.91 -1.78 116.55 121.95 1ji8 n ASP 19 Ca -0.07 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.42 1ji8 n ASP 19 Cb 0.49 0.00 0.85 0.00 -0.72 0.00 0.00 41.12 41.74 1ji8 n ASP 19 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1ji8 h GLU 20 N 0.00 0.00 -0.79 -0.67 5.08 -1.92 -2.72 114.58 113.56 1ji8 h GLU 20 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1ji8 h GLU 20 Cb 0.00 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 28.90 1ji8 h GLU 20 CO 0.00 0.02 -0.15 -0.25 -1.00 0.00 0.00 179.01 177.63 1ji8 n ASP 21 N -3.16 5.60 -4.10 1.42 9.92 -1.26 -4.29 116.55 120.68 1ji8 n ASP 21 Ca -0.01 -3.77 -0.32 0.00 -0.53 0.00 0.00 54.79 50.16 1ji8 n ASP 21 Cb 0.23 -0.59 -0.01 0.00 -0.64 0.00 0.00 41.12 40.10 1ji8 n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ji8 s PHE 23 N -3.45 3.57 -0.58 0.00 2.19 -1.26 -4.79 117.98 113.66 1ji8 s PHE 23 Ca 0.55 0.63 -0.26 0.00 0.33 0.00 0.00 56.93 58.17 1ji8 s PHE 23 Cb -0.29 -2.03 0.04 0.00 -1.31 0.00 0.00 43.02 39.42 1ji8 s PHE 23 CO 0.90 0.58 1.09 -1.64 1.83 0.00 0.00 175.22 177.98 1ji8 s MET 24 N -1.86 3.41 -0.20 10.12 -1.94 -1.26 -2.14 119.30 125.43 1ji8 s MET 24 Ca 0.30 -0.02 0.13 0.00 -1.71 0.00 0.00 55.69 54.38 1ji8 s MET 24 Cb -0.13 -4.05 0.71 0.00 2.01 0.00 0.00 34.83 33.37 1ji8 s MET 24 CO 0.17 -1.64 1.59 0.94 -0.01 0.00 0.00 175.02 176.07 1ji8 n GLN 25 N 8.08 4.31 -3.37 2.03 0.00 -1.26 -4.56 117.38 122.61 1ji8 n GLN 25 Ca 0.05 -2.73 -0.26 0.00 -0.00 0.00 0.00 57.00 54.06 1ji8 n GLN 25 Cb 0.48 -2.14 -0.08 0.00 0.00 0.00 0.00 30.24 28.50 1ji8 n GLN 25 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1ji8 n ASN 26 N 0.60 1.94 0.12 1.69 4.13 -1.26 -4.90 115.26 117.58 1ji8 n ASN 26 Ca 0.24 -3.04 -0.02 0.00 1.68 0.00 0.00 54.58 53.44 1ji8 n ASN 26 Cb 1.05 -0.66 0.15 0.00 -1.54 0.00 0.00 39.78 38.78 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 4.34 0.04 0.00 3.52 0.13 -1.92 -2.89 132.00 135.22 1ji8 h PRO 27 Ca 0.15 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ji8 h PRO 27 Cb 0.78 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1ji8 h PRO 27 CO 0.64 0.66 0.00 1.49 -0.23 0.00 0.00 178.00 180.56 1ji8 h GLU 28 N 0.03 0.00 -0.69 0.86 4.81 -1.95 -2.61 114.58 115.03 1ji8 h GLU 28 Ca -0.01 0.00 -0.45 0.00 -0.13 0.00 0.00 59.36 58.77 1ji8 h GLU 28 Cb 1.13 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.24 1ji8 h GLU 28 CO 0.09 0.00 -0.01 -0.25 -0.73 0.00 0.00 179.01 178.11 1ji8 n ASP 29 N -2.60 4.67 -4.89 1.04 9.92 -1.09 -5.01 116.55 118.59 1ji8 n ASP 29 Ca 0.00 -3.77 -0.30 0.00 -0.53 0.00 0.00 54.79 50.20 1ji8 n ASP 29 Cb 0.20 -0.65 -0.04 0.00 -0.64 0.00 0.00 41.12 39.99 1ji8 n ASP 29 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 1ji8 s TRP 30 N -3.52 3.46 0.00 1.24 -0.00 -0.99 -4.94 118.94 114.20 1ji8 s TRP 30 Ca 0.53 0.77 0.00 0.00 -0.00 0.00 0.00 56.10 57.39 1ji8 s TRP 30 Cb 0.44 -2.20 0.00 0.00 -0.00 0.00 0.00 33.47 31.71 1ji8 s TRP 30 CO 0.02 0.15 0.00 -0.25 -0.00 0.00 0.00 176.95 176.86 1ji8 n ASP 31 N -0.81 0.00 0.12 5.86 8.00 -1.26 -4.99 116.55 123.47 1ji8 n ASP 31 Ca -0.00 -0.81 -0.10 0.00 0.71 0.00 0.00 54.79 54.59 1ji8 n ASP 31 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.58 1ji8 n ASP 31 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1ji8 h GLU 32 N 0.00 -0.37 -0.12 -1.24 5.08 -2.00 -2.45 114.58 113.48 1ji8 h GLU 32 Ca 0.00 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1ji8 h GLU 32 Cb 0.00 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1ji8 h GLU 32 CO 0.00 -0.07 0.09 -0.22 -1.00 0.00 0.00 179.01 177.81 1ji8 h LYS 33 N -0.99 0.00 0.43 2.33 3.64 -1.99 -2.00 116.57 117.99 1ji8 h LYS 33 Ca -0.04 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1ji8 h LYS 33 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1ji8 h LYS 33 CO 0.06 0.00 -0.21 0.28 -2.27 0.00 0.00 179.45 177.32 1ji8 h VAL 34 N 0.00 0.36 -0.94 2.00 2.07 -1.92 -1.97 116.25 115.86 1ji8 h VAL 34 Ca 0.06 -0.57 0.11 0.00 0.82 0.00 0.00 66.70 67.11 1ji8 h VAL 34 Cb 0.24 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 1ji8 h VAL 34 CO -0.00 0.07 0.60 0.00 0.02 0.00 0.00 177.57 178.26 1ji8 h ALA 35 N -0.72 1.60 0.19 1.67 0.00 -1.19 -1.78 119.26 119.04 1ji8 h ALA 35 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ji8 h ALA 35 Cb 0.56 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ji8 h ALA 35 CO 0.10 0.19 -0.09 1.49 0.00 0.00 0.00 179.25 180.94 1ji8 h GLU 36 N 0.92 -0.25 -0.53 0.00 4.81 -1.35 -1.86 114.58 116.33 1ji8 h GLU 36 Ca 0.45 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.78 1ji8 h GLU 36 Cb 0.45 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1ji8 h GLU 36 CO -0.21 -0.04 0.36 2.35 -0.73 0.00 0.00 179.01 180.74 1ji8 h TRP 37 N -0.42 0.38 -0.29 0.92 7.01 -0.81 -1.63 115.95 121.11 1ji8 h TRP 37 Ca -0.03 0.01 -0.11 0.00 2.11 0.00 0.00 58.89 60.87 1ji8 h TRP 37 Cb 0.32 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 27.25 1ji8 h TRP 37 CO -0.02 0.19 -0.26 1.25 -2.79 0.00 0.00 178.44 176.81 1ji8 h LEU 38 N 0.36 0.72 -1.43 0.65 6.46 -0.99 -1.97 115.31 119.12 1ji8 h LEU 38 Ca 0.24 -0.46 -0.05 0.00 -0.12 0.00 0.00 57.88 57.49 1ji8 h LEU 38 Cb 0.48 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 1ji8 h LEU 38 CO -0.06 1.03 -0.17 0.00 -0.62 0.00 0.00 178.44 178.62 1ji8 h ALA 39 N 0.71 1.53 -0.05 1.25 0.00 -0.49 -2.00 119.26 120.21 1ji8 h ALA 39 Ca 0.05 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1ji8 h ALA 39 Cb 0.82 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1ji8 h ALA 39 CO 0.07 0.34 -0.54 -0.09 0.00 0.00 0.00 179.25 179.03 1ji8 h ARG 40 N 0.16 0.45 -0.57 0.00 2.43 -1.23 0.42 114.38 116.03 1ji8 h ARG 40 Ca 0.03 -0.42 -0.04 0.00 -0.81 0.00 0.00 59.98 58.74 1ji8 h ARG 40 Cb 0.40 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 1ji8 h ARG 40 CO 0.03 1.07 0.20 1.49 -1.51 0.00 0.00 179.97 181.24 1ji8 h GLU 41 N -0.01 0.84 0.00 0.20 4.57 -1.16 -1.91 114.58 117.10 1ji8 h GLU 41 Ca -0.05 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1ji8 h GLU 41 Cb 1.22 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1ji8 h GLU 41 CO 0.11 0.71 -0.04 -0.07 -1.18 0.00 0.00 179.01 178.54 1ji8 h LEU 42 N 0.82 0.00 0.00 1.64 4.07 -1.39 -3.44 115.31 117.01 1ji8 h LEU 42 Ca 0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.15 1ji8 h LEU 42 Cb 0.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.95 1ji8 h LEU 42 CO -0.01 0.13 -0.01 -0.08 -1.08 0.00 0.00 178.44 177.39 1ji8 h GLU 43 N -0.22 0.00 0.00 1.13 4.81 -1.08 -3.49 114.58 115.73 1ji8 h GLU 43 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ji8 h GLU 43 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1ji8 h GLU 43 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 1ji8 n GLY 44 N 1.91 0.53 3.52 1.92 0.00 -0.54 -4.95 105.19 107.58 1ji8 n GLY 44 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 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 0.86 0.31 -0.61 5.41 -1.25 -4.72 119.36 119.36 1ji8 n ILE 45 Ca 0.00 -0.21 0.08 0.00 1.00 0.00 0.00 62.75 63.61 1ji8 n ILE 45 Cb 0.00 -0.42 0.12 0.00 -0.71 0.00 0.00 39.64 38.64 1ji8 n ILE 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ji8 n GLN 46 N 1.53 1.83 -3.18 0.38 6.02 -1.26 -3.68 117.38 119.02 1ji8 n GLN 46 Ca 0.17 -1.77 0.01 0.00 -0.01 0.00 0.00 57.00 55.41 1ji8 n GLN 46 Cb 0.20 -1.33 -0.01 0.00 1.02 0.00 0.00 30.24 30.12 1ji8 n GLN 46 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1ji8 s LYS 47 N -1.20 0.75 -0.21 -1.09 2.47 -1.26 -5.11 119.74 114.09 1ji8 s LYS 47 Ca 0.24 -0.15 -0.41 0.00 -1.56 0.00 0.00 55.97 54.09 1ji8 s LYS 47 Cb 0.15 0.11 -0.18 0.00 -1.46 0.00 0.00 37.83 36.46 1ji8 s LYS 47 CO 0.21 -1.11 1.52 -1.33 0.16 0.00 0.00 175.35 174.79 1ji8 n MET 48 N 4.50 0.71 -1.66 4.03 2.81 -1.26 -4.89 117.12 121.36 1ji8 n MET 48 Ca 0.10 0.26 -0.32 0.00 -1.81 0.00 0.00 57.70 55.93 1ji8 n MET 48 Cb 0.57 -1.86 0.05 0.00 -0.71 0.00 0.00 33.22 31.26 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 2.18 3.84 0.43 2.03 -1.32 -1.26 -4.88 115.64 116.66 1ji8 s THR 49 Ca 0.96 0.68 0.17 0.00 -1.21 0.00 0.00 61.69 62.28 1ji8 s THR 49 Cb -1.18 -3.31 0.37 0.00 -1.51 0.00 0.00 72.50 66.88 1ji8 s THR 49 CO 0.64 -0.70 1.88 -0.33 -2.21 0.00 0.00 174.62 173.90 1ji8 h GLU 50 N -0.45 0.38 -0.69 7.08 5.08 -2.00 -0.18 114.58 123.81 1ji8 h GLU 50 Ca -0.45 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 57.91 1ji8 h GLU 50 Cb 1.22 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 1ji8 h GLU 50 CO 0.56 0.25 0.44 1.49 -1.00 0.00 0.00 179.01 180.75 1ji8 h GLU 51 N 0.40 0.85 0.53 2.33 4.81 -1.99 -0.71 114.58 120.80 1ji8 h GLU 51 Ca 0.43 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 1ji8 h GLU 51 Cb 1.06 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1ji8 h GLU 51 CO -0.15 0.56 -0.34 0.45 -0.73 0.00 0.00 179.01 178.81 1ji8 h HIS 52 N 0.88 -0.90 -0.05 0.92 3.86 -1.37 -1.83 115.15 116.66 1ji8 h HIS 52 Ca 0.26 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.48 1ji8 h HIS 52 Cb -0.04 0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.75 1ji8 h HIS 52 CO -0.04 -0.51 0.05 -1.49 0.86 0.00 0.00 177.93 176.80 1ji8 h TRP 53 N -0.83 0.00 0.20 2.45 -0.00 -1.42 -1.74 115.95 114.61 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 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.85 1ji8 h TRP 53 CO -0.11 0.00 -0.10 0.87 -0.00 0.00 0.00 178.44 179.11 1ji8 h LYS 54 N 0.00 -0.26 -0.65 0.49 1.57 -0.32 -0.99 116.57 116.41 1ji8 h LYS 54 Ca 0.02 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 58.97 1ji8 h LYS 54 Cb 0.12 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1ji8 h LYS 54 CO -0.00 -0.17 0.45 1.25 -0.57 0.00 0.00 179.45 180.41 1ji8 h LEU 55 N -0.35 0.23 -0.89 2.94 5.85 -1.33 0.91 115.31 122.67 1ji8 h LEU 55 Ca -0.03 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 1ji8 h LEU 55 Cb 0.20 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1ji8 h LEU 55 CO 0.04 0.12 -0.38 0.58 -0.34 0.00 0.00 178.44 178.47 1ji8 h VAL 56 N 0.24 1.30 -0.21 1.05 2.07 -1.28 -2.39 116.25 117.03 1ji8 h VAL 56 Ca 0.32 -1.48 -0.14 0.00 0.82 0.00 0.00 66.70 66.21 1ji8 h VAL 56 Cb 0.90 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1ji8 h VAL 56 CO -0.07 0.45 -0.43 0.50 0.02 0.00 0.00 177.57 178.04 1ji8 h LYS 57 N 0.30 0.67 -0.44 1.57 3.64 0.58 -2.79 116.57 120.09 1ji8 h LYS 57 Ca 0.03 -0.43 -0.03 0.00 -1.27 0.00 0.00 60.65 58.95 1ji8 h LYS 57 Cb 0.80 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 1ji8 h LYS 57 CO 0.06 1.05 0.17 -0.92 -2.27 0.00 0.00 179.45 177.55 1ji8 h TYR 58 N 0.37 0.68 -0.00 1.91 5.03 -1.34 -2.89 116.97 120.73 1ji8 h TYR 58 Ca 0.01 -0.05 0.01 0.00 2.58 0.00 0.00 58.73 61.27 1ji8 h TYR 58 Cb 1.03 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 39.09 1ji8 h TYR 58 CO 0.09 0.59 -0.07 -0.07 -1.32 0.00 0.00 178.16 177.38 1ji8 h LEU 59 N 0.58 -0.20 -0.54 2.82 3.38 -1.45 -2.68 115.31 117.22 1ji8 h LEU 59 Ca 0.15 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.26 1ji8 h LEU 59 Cb 0.21 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 40.94 1ji8 h LEU 59 CO -0.01 -0.10 -0.14 -0.09 0.09 0.00 0.00 178.44 178.19 1ji8 h ARG 60 N -0.12 -0.00 -0.98 1.13 2.43 -1.39 0.12 114.38 115.57 1ji8 h ARG 60 Ca 0.03 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.36 1ji8 h ARG 60 Cb 0.16 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.62 1ji8 h ARG 60 CO -0.07 -0.00 0.61 0.93 -1.51 0.00 0.00 179.97 179.93 1ji8 h GLU 61 N -0.00 0.76 -0.23 0.20 5.08 -1.27 -1.48 114.58 117.64 1ji8 h GLU 61 Ca 0.26 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1ji8 h GLU 61 Cb 0.40 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1ji8 h GLU 61 CO -0.56 0.50 -0.08 1.88 -1.00 0.00 0.00 179.01 179.76 1ji8 h TYR 62 N 0.78 0.51 -0.58 4.33 0.05 -0.58 -2.38 116.97 119.11 1ji8 h TYR 62 Ca 0.52 -0.12 0.10 0.00 0.05 0.00 0.00 58.73 59.28 1ji8 h TYR 62 Cb 0.78 -0.12 -0.08 0.00 1.01 0.00 0.00 36.73 38.32 1ji8 h TYR 62 CO -0.00 0.71 0.16 2.35 -1.05 0.00 0.00 178.16 180.32 1ji8 h TRP 63 N 0.17 0.26 -0.34 4.88 7.01 -0.42 -0.41 115.95 127.11 1ji8 h TRP 63 Ca 0.05 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 61.00 1ji8 h TRP 63 Cb 0.56 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.57 1ji8 h TRP 63 CO 0.06 0.02 -0.14 0.93 -2.79 0.00 0.00 178.44 176.52 1ji8 h GLU 64 N 0.31 0.60 -0.28 2.65 4.39 -1.41 -0.34 114.58 120.49 1ji8 h GLU 64 Ca 0.30 -0.19 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 1ji8 h GLU 64 Cb 0.41 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1ji8 h GLU 64 CO -0.35 0.72 -0.07 1.15 -1.16 0.00 0.00 179.01 179.29 1ji8 h THR 65 N 0.54 1.21 0.00 1.13 2.02 -0.57 -3.43 112.91 113.81 1ji8 h THR 65 Ca 0.09 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1ji8 h THR 65 Cb 0.55 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1ji8 h THR 65 CO 0.04 0.29 0.00 0.33 0.37 0.00 0.00 175.52 176.54 1ji8 n PHE 66 N -4.25 -0.48 0.00 3.16 7.35 -0.58 -5.11 117.46 117.55 1ji8 n PHE 66 Ca 0.01 0.05 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 1ji8 n PHE 66 Cb 0.28 0.54 0.00 0.00 0.35 0.00 0.00 39.48 40.65 1ji8 n PHE 66 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ji8 n GLY 67 N 1.18 0.69 3.45 7.13 0.00 -0.17 -4.98 105.19 112.49 1ji8 n GLY 67 Ca 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 0.00 -0.80 2.61 -1.32 -1.26 -4.67 115.64 110.19 1ji8 s THR 68 Ca 0.00 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.47 1ji8 s THR 68 Cb 0.00 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.19 1ji8 s THR 68 CO 0.00 0.00 0.66 0.00 -2.21 0.00 0.00 174.62 173.07 1ji8 s PRO 70 N -1.10 2.68 0.00 0.00 0.04 -1.26 -4.98 135.00 130.39 1ji8 s PRO 70 Ca 0.25 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1ji8 s PRO 70 Cb -0.10 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1ji8 s PRO 70 CO -0.11 -1.29 0.01 -0.35 0.04 0.00 0.00 177.00 175.29 1ji8 n PRO 71 N -3.27 0.00 -2.17 0.56 -0.04 -1.26 -4.86 135.00 123.96 1ji8 n PRO 71 Ca 0.08 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.52 1ji8 n PRO 71 Cb 0.53 -0.19 0.04 0.00 -0.04 0.00 0.00 33.50 33.85 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 -0.02 0.00 -0.04 0.52 0.13 -1.26 -4.81 119.36 113.88 1ji8 n ILE 72 Ca 0.00 -0.54 -0.03 0.00 -1.10 0.00 0.00 62.75 61.08 1ji8 n ILE 72 Cb 0.00 0.70 -0.01 0.00 -0.84 0.00 0.00 39.64 39.49 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 -0.59 0.25 -0.26 9.51 4.01 -1.26 -4.01 118.16 125.80 1ji8 n LYS 73 Ca -0.11 0.31 -0.07 0.00 -0.51 0.00 0.00 58.31 57.92 1ji8 n LYS 73 Cb 0.67 -1.16 0.05 0.00 -0.51 0.00 0.00 35.03 34.07 1ji8 n LYS 73 CO 0.00 0.00 0.00 0.52 -1.11 0.00 0.00 177.40 176.81 1ji8 h MET 74 N -0.52 1.14 -0.93 1.97 2.86 -2.01 -2.60 114.93 114.84 1ji8 h MET 74 Ca 0.00 -0.26 0.18 0.00 -2.06 0.00 0.00 59.70 57.56 1ji8 h MET 74 Cb 0.34 -0.16 -0.08 0.00 0.06 0.00 0.00 31.60 31.77 1ji8 h MET 74 CO 0.00 0.99 0.60 0.28 1.06 0.00 0.00 176.91 179.83 1ji8 h VAL 75 N 1.08 0.75 -0.22 -2.22 2.07 -1.95 0.16 116.25 115.91 1ji8 h VAL 75 Ca 0.23 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 1ji8 h VAL 75 Cb 0.34 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1ji8 h VAL 75 CO -0.00 0.11 -0.20 0.74 0.02 0.00 0.00 177.57 178.24 1ji8 h THR 76 N 0.62 1.24 -0.03 2.57 2.02 -1.60 -1.69 112.91 116.04 1ji8 h THR 76 Ca 0.49 -1.10 -0.18 0.00 0.77 0.00 0.00 66.41 66.40 1ji8 h THR 76 Cb 0.92 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1ji8 h THR 76 CO -0.24 0.35 -0.76 0.50 0.37 0.00 0.00 175.52 175.74 1ji8 h LYS 77 N 0.36 0.24 -0.04 6.66 3.64 -0.72 -0.64 116.57 126.06 1ji8 h LYS 77 Ca 0.06 -0.21 -0.20 0.00 -1.27 0.00 0.00 60.65 59.02 1ji8 h LYS 77 Cb 0.55 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1ji8 h LYS 77 CO 0.04 0.89 -0.82 1.49 -2.27 0.00 0.00 179.45 178.77 1ji8 h GLU 78 N 0.16 0.41 0.00 1.90 4.81 -1.03 -3.42 114.58 117.41 1ji8 h GLU 78 Ca -0.03 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1ji8 h GLU 78 Cb 1.33 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.80 1ji8 h GLU 78 CO 0.12 1.03 0.00 0.25 -0.73 0.00 0.00 179.01 179.68 1ji8 n THR 79 N -3.79 0.00 0.00 0.32 -2.24 -0.66 -5.08 114.28 102.82 1ji8 n THR 79 Ca -0.05 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ji8 n THR 79 Cb 0.77 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1ji8 n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ji8 n GLY 80 N 2.93 0.39 3.71 3.38 0.00 -0.25 -5.04 105.19 110.31 1ji8 n GLY 80 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1ji8 n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ji8 s PHE 81 N -0.68 3.48 0.13 1.61 0.40 -1.26 -5.05 117.98 116.62 1ji8 s PHE 81 Ca 0.00 0.85 -0.30 0.00 -0.60 0.00 0.00 56.93 56.88 1ji8 s PHE 81 Cb 0.00 -2.57 -0.06 0.00 0.51 0.00 0.00 43.02 40.90 1ji8 s PHE 81 CO 0.00 0.12 1.03 -1.12 0.70 0.00 0.00 175.22 175.95 1ji8 s SER 82 N 0.72 7.38 0.59 1.36 0.01 -1.26 -4.86 113.70 117.63 1ji8 s SER 82 Ca 0.25 1.92 0.34 0.00 1.31 0.00 0.00 55.95 59.78 1ji8 s SER 82 Cb -0.15 -2.59 1.28 0.00 0.21 0.00 0.00 66.02 64.76 1ji8 s SER 82 CO 0.10 -0.16 1.51 0.25 0.41 0.00 0.00 173.24 175.35 1ji8 h LEU 83 N 5.50 0.00 0.32 2.44 5.85 -1.97 0.19 115.31 127.64 1ji8 h LEU 83 Ca -0.43 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 1ji8 h LEU 83 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1ji8 h LEU 83 CO 0.73 0.00 -0.16 -0.08 -0.34 0.00 0.00 178.44 178.59 1ji8 h GLU 84 N 0.00 -0.42 -0.34 1.25 4.81 -2.00 -1.48 114.58 116.40 1ji8 h GLU 84 Ca 0.57 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.87 1ji8 h GLU 84 Cb 2.81 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 32.25 1ji8 h GLU 84 CO -0.01 -0.26 0.10 -0.22 -0.73 0.00 0.00 179.01 177.90 1ji8 h LYS 85 N -0.47 0.23 -0.20 1.92 1.63 -0.99 -0.84 116.57 117.85 1ji8 h LYS 85 Ca -0.04 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.78 1ji8 h LYS 85 Cb 0.36 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 1ji8 h LYS 85 CO 0.07 0.15 0.14 0.82 -3.45 0.00 0.00 179.45 177.19 1ji8 h ILE 86 N 0.24 0.95 -0.04 2.00 5.03 -1.46 -1.98 117.51 122.24 1ji8 h ILE 86 Ca 0.15 -0.03 -0.04 0.00 -0.12 0.00 0.00 64.86 64.82 1ji8 h ILE 86 Cb 0.14 0.85 0.00 0.00 -3.03 0.00 0.00 36.82 34.78 1ji8 h ILE 86 CO -0.17 0.02 -0.13 0.22 -0.68 0.00 0.00 178.15 177.41 1ji8 h TYR 87 N 0.09 0.21 -0.87 1.37 5.03 -0.09 -2.20 116.97 120.53 1ji8 h TYR 87 Ca 0.09 -0.08 0.02 0.00 2.58 0.00 0.00 58.73 61.34 1ji8 h TYR 87 Cb 0.24 -0.04 -0.05 0.00 1.55 0.00 0.00 36.73 38.44 1ji8 h TYR 87 CO -0.00 0.74 0.57 1.96 -1.32 0.00 0.00 178.16 180.12 1ji8 h GLN 88 N -0.38 1.10 0.26 1.82 1.08 -0.87 -3.19 115.11 114.93 1ji8 h GLN 88 Ca -0.00 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1ji8 h GLN 88 Cb 0.75 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1ji8 h GLN 88 CO 0.03 0.73 -0.13 -0.07 -0.95 0.00 0.00 178.83 178.44 1ji8 h LEU 89 N 1.13 -0.30-10.70 1.46 3.38 -1.38 -3.45 115.31 105.45 1ji8 h LEU 89 Ca 0.33 0.01 -0.46 0.00 0.09 0.00 0.00 57.88 57.85 1ji8 h LEU 89 Cb -0.06 0.08 0.12 0.00 0.09 0.00 0.00 40.66 40.88 1ji8 h LEU 89 CO -0.08 -0.12 0.35 -0.36 0.09 0.00 0.00 178.44 178.31 1ji8 s PHE 90 N -3.04 2.31 0.00 1.13 0.40 -0.83 -5.06 117.98 112.90 1ji8 s PHE 90 Ca -0.05 0.43 0.00 0.00 -0.60 0.00 0.00 56.93 56.71 1ji8 s PHE 90 Cb 0.01 -3.62 0.00 0.00 0.51 0.00 0.00 43.02 39.91 1ji8 s PHE 90 CO 0.15 -2.02 0.02 -0.35 0.70 0.00 0.00 175.22 173.73 1ji8 n PRO 91 N -3.36 0.00 -2.89 0.24 -0.04 -1.26 -4.69 135.00 122.99 1ji8 n PRO 91 Ca 0.11 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.49 1ji8 n PRO 91 Cb 0.60 -0.23 -0.01 0.00 -0.04 0.00 0.00 33.50 33.82 1ji8 n PRO 91 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ji8 s SER 92 N -1.32 -0.86 0.00 3.54 1.04 -1.26 -4.87 113.70 109.97 1ji8 s SER 92 Ca 0.00 -2.01 0.00 0.00 0.48 0.00 0.00 55.95 54.42 1ji8 s SER 92 Cb 0.00 1.42 0.00 0.00 0.10 0.00 0.00 66.02 67.54 1ji8 s SER 92 CO 0.00 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1ji8 n GLY 93 N 2.93 -0.26 0.20 7.32 0.00 -1.26 -5.02 105.19 109.10 1ji8 n GLY 93 Ca 0.20 0.28 0.14 0.00 0.00 0.00 0.00 46.02 46.65 1ji8 n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ji8 h PRO 94 N 0.00 0.00 0.00 1.61 0.13 -1.95 -2.94 132.00 128.85 1ji8 h PRO 94 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ji8 h PRO 94 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ji8 h PRO 94 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 1ji8 n ALA 95 N -1.95 0.00 1.49 -0.56 0.00 -1.26 -1.57 120.51 116.66 1ji8 n ALA 95 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.59 1ji8 n ALA 95 Cb 0.34 0.02 0.74 0.00 0.00 0.00 0.00 19.45 20.54 1ji8 n ALA 95 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1ji8 n HIS 96 N -0.10 0.00 0.00 0.00 1.44 -1.26 -3.46 115.22 111.83 1ji8 n HIS 96 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1ji8 n HIS 96 Cb 0.00 -0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.00 1ji8 n HIS 96 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ji8 n GLY 97 N 0.76 -0.57 0.39 -1.39 0.00 -1.11 -1.52 105.19 101.75 1ji8 n GLY 97 Ca 0.17 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.38 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 2.10 0.14 4.61 0.00 -1.41 -1.42 119.26 121.27 1ji8 h ALA 98 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ji8 h ALA 98 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ji8 h ALA 98 CO 0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 179.25 178.74 1ji8 h LYS 100 N -0.70 0.26 -0.07 0.00 3.11 -0.30 -0.58 116.57 118.30 1ji8 h LYS 100 Ca -0.02 -0.02 -0.11 0.00 -2.81 0.00 0.00 60.65 57.70 1ji8 h LYS 100 Cb 0.51 -0.06 0.01 0.00 -1.00 0.00 0.00 32.23 31.69 1ji8 h LYS 100 CO 0.03 0.17 -0.38 0.28 -2.81 0.00 0.00 179.45 176.74 1ji8 h VAL 101 N 0.27 1.42 0.00 2.00 2.07 -1.21 -3.08 116.25 117.72 1ji8 h VAL 101 Ca 0.44 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 1ji8 h VAL 101 Cb 1.30 2.33 -0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1ji8 h VAL 101 CO -0.12 0.52 -0.02 0.00 0.02 0.00 0.00 177.57 177.97 1ji8 h ALA 102 N 0.42 1.12 -2.06 1.67 0.00 -0.50 -3.46 119.26 116.45 1ji8 h ALA 102 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ji8 h ALA 102 Cb 1.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1ji8 h ALA 102 CO 0.08 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1ji8 n GLY 103 N -0.81 0.63 3.48 0.00 0.00 -0.56 -5.00 105.19 102.93 1ji8 n GLY 103 Ca -0.02 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.78 3.37 -2.00 4.61 0.00 -1.20 -4.89 121.76 118.87 1ji8 s ALA 104 Ca 0.00 -1.50 0.21 0.00 0.00 0.00 0.00 51.96 50.67 1ji8 s ALA 104 Cb 0.00 -3.30 1.25 0.00 0.00 0.00 0.00 23.12 21.07 1ji8 s ALA 104 CO 0.00 -1.87 1.65 -0.35 0.00 0.00 0.00 175.76 175.18 1ji8 n PRO 105 N 6.15 0.71 -3.87 0.00 -0.04 -1.26 -4.29 135.00 132.40 1ji8 n PRO 105 Ca -0.05 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.12 1ji8 n PRO 105 Cb 0.47 -1.46 -0.13 0.00 -0.04 0.00 0.00 33.50 32.33 1ji8 n PRO 105 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ji8 s LYS 106 N -2.00 1.84 -0.01 0.54 -0.14 -1.26 -4.94 119.74 113.77 1ji8 s LYS 106 Ca 0.31 -2.54 -0.22 0.00 -1.36 0.00 0.00 55.97 52.15 1ji8 s LYS 106 Cb 0.14 -3.05 -0.20 0.00 -1.68 0.00 0.00 37.83 33.04 1ji8 s LYS 106 CO 0.24 -1.15 1.16 -1.00 -0.76 0.00 0.00 175.35 173.84 1ji8 h PRO 107 N 6.41 0.26 -5.67 -1.68 0.13 -1.96 -3.42 132.00 126.06 1ji8 h PRO 107 Ca -0.03 -0.21 -0.52 0.00 -0.87 0.00 0.00 66.00 64.37 1ji8 h PRO 107 Cb 0.88 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 1ji8 h PRO 107 CO 0.63 0.86 1.59 2.41 -0.23 0.00 0.00 178.00 183.27 1ji8 n THR 108 N -4.50 0.05 -2.35 1.56 -1.04 -1.26 -4.38 114.28 102.36 1ji8 n THR 108 Ca -0.09 -0.57 -0.29 0.00 -2.04 0.00 0.00 64.05 61.07 1ji8 n THR 108 Cb 0.47 -2.34 0.01 0.00 -1.82 0.00 0.00 70.33 66.64 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 6.09 5.97 0.00 3.41 0.00 -1.26 -4.85 105.19 114.56 1ji8 n GLY 109 Ca 0.39 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.70 1ji8 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32