#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 -0.41 0.00 0.03 0.13 -1.89 -3.43 132.00 126.44 1ji8 h PRO 2 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1ji8 h PRO 2 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 1ji8 h PRO 2 CO 0.00 -0.27 0.00 0.28 -0.23 0.00 0.00 178.00 177.78 1ji8 n VAL 3 N -4.84 0.04 -2.01 1.56 0.31 -1.26 -4.76 118.33 107.37 1ji8 n VAL 3 Ca -0.05 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1ji8 n VAL 3 Cb 0.17 1.50 0.00 0.00 -0.91 0.00 0.00 33.84 34.59 1ji8 n VAL 3 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ji8 n LYS 4 N -0.02 -4.64 -4.06 5.55 0.00 -1.26 -4.92 118.16 108.80 1ji8 n LYS 4 Ca 0.00 3.40 -0.11 0.00 0.00 0.00 0.00 58.31 61.59 1ji8 n LYS 4 Cb 0.33 -3.91 -0.11 0.00 0.00 0.00 0.00 35.03 31.34 1ji8 n LYS 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ji8 s PRO 6 N -1.94 2.93 -0.08 0.00 0.04 -1.18 -4.93 135.00 129.83 1ji8 s PRO 6 Ca -0.08 0.62 -0.32 0.00 0.04 0.00 0.00 61.00 61.26 1ji8 s PRO 6 Cb -0.07 -2.02 0.13 0.00 0.04 0.00 0.00 34.50 32.58 1ji8 s PRO 6 CO -0.01 -1.02 1.40 0.20 0.04 0.00 0.00 177.00 177.61 1ji8 s GLY 7 N -4.18 -0.40 0.43 0.56 0.00 -0.87 -5.01 107.32 97.85 1ji8 s GLY 7 Ca 0.58 0.68 0.08 0.00 0.00 0.00 0.00 44.72 46.05 1ji8 s GLY 7 CO 0.53 2.26 0.41 -0.54 0.00 0.00 0.00 173.10 175.76 1ji8 s GLU 8 N -2.05 2.54 0.11 2.90 2.02 -1.26 -0.58 118.70 122.38 1ji8 s GLU 8 Ca 0.20 -1.53 -0.26 0.00 0.02 0.00 0.00 54.97 53.40 1ji8 s GLU 8 Cb 0.05 -2.41 0.08 0.00 0.10 0.00 0.00 34.13 31.95 1ji8 s GLU 8 CO -0.05 -0.24 1.07 0.71 0.02 0.00 0.00 175.26 176.76 1ji8 s TYR 9 N -2.48 -0.08 -0.02 1.61 2.02 -0.20 -4.87 117.35 113.34 1ji8 s TYR 9 Ca 0.49 -0.18 0.03 0.00 -0.37 0.00 0.00 57.07 57.03 1ji8 s TYR 9 Cb -0.04 0.62 -0.00 0.00 -0.40 0.00 0.00 41.96 42.14 1ji8 s TYR 9 CO 0.28 -0.67 -0.09 -1.14 -1.57 0.00 0.00 175.55 172.36 1ji8 s GLN 10 N -2.89 0.85 -0.30 -0.62 0.74 -1.26 -1.47 119.66 114.70 1ji8 s GLN 10 Ca 0.14 -0.32 0.01 0.00 0.05 0.00 0.00 55.36 55.25 1ji8 s GLN 10 Cb 0.00 -0.81 0.07 0.00 1.10 0.00 0.00 33.01 33.38 1ji8 s GLN 10 CO 0.01 0.16 -0.01 0.08 -0.55 0.00 0.00 175.29 174.97 1ji8 s VAL 11 N -0.02 2.55 0.00 1.34 1.01 -0.97 -4.96 120.40 119.35 1ji8 s VAL 11 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.23 1ji8 s VAL 11 Cb -0.06 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1ji8 s VAL 11 CO -0.00 -0.24 0.00 -0.67 0.00 0.00 0.00 175.10 174.19 1ji8 n ASP 12 N 4.47 0.00 -3.09 3.32 2.03 -1.26 -1.64 116.55 120.38 1ji8 n ASP 12 Ca -0.09 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.01 1ji8 n ASP 12 Cb 0.42 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.79 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 4.41 3.61 0.27 0.00 -1.26 -5.08 105.19 107.14 1ji8 n GLY 13 Ca 0.00 -2.13 -0.09 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.85 1.39 0.03 1.61 2.20 -0.65 -5.16 119.74 116.31 1ji8 s LYS 14 Ca 0.44 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 55.41 1ji8 s LYS 14 Cb 0.32 0.56 -0.04 0.00 -1.51 0.00 0.00 37.83 37.16 1ji8 s LYS 14 CO -0.10 -0.62 0.13 0.21 -0.36 0.00 0.00 175.35 174.60 1ji8 s LYS 15 N -3.69 3.16 -0.01 4.03 2.20 -1.26 -2.29 119.74 121.87 1ji8 s LYS 15 Ca 0.06 -0.51 -0.00 0.00 -0.36 0.00 0.00 55.97 55.16 1ji8 s LYS 15 Cb -0.03 -2.90 0.01 0.00 -1.51 0.00 0.00 37.83 33.40 1ji8 s LYS 15 CO -0.04 0.62 0.02 0.08 -0.36 0.00 0.00 175.35 175.67 1ji8 s VAL 16 N -1.34 -0.02 -0.32 4.02 1.01 -0.54 -4.87 120.40 118.33 1ji8 s VAL 16 Ca 0.28 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.36 1ji8 s VAL 16 Cb -0.12 -0.05 0.10 0.00 0.00 0.00 0.00 36.38 36.30 1ji8 s VAL 16 CO 0.20 0.04 0.08 -0.63 0.00 0.00 0.00 175.10 174.78 1ji8 s ILE 17 N 0.46 1.42 0.11 2.22 1.09 -1.26 -1.03 121.20 124.20 1ji8 s ILE 17 Ca -0.04 -1.75 -0.30 0.00 -1.10 0.00 0.00 60.65 57.46 1ji8 s ILE 17 Cb -0.05 -2.05 -0.07 0.00 -1.06 0.00 0.00 42.46 39.23 1ji8 s ILE 17 CO -0.01 -0.64 1.21 -0.76 -0.10 0.00 0.00 174.94 174.64 1ji8 s LEU 18 N 1.34 4.40 0.00 2.97 1.43 0.25 -3.73 118.68 125.34 1ji8 s LEU 18 Ca 0.10 2.11 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 1ji8 s LEU 18 Cb -0.18 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1ji8 s LEU 18 CO -0.18 -0.44 0.00 -0.67 0.23 0.00 0.00 176.35 175.28 1ji8 n ASP 19 N 3.43 0.00 -0.03 2.29 2.03 -0.76 -2.05 116.55 121.47 1ji8 n ASP 19 Ca 0.07 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.26 1ji8 n ASP 19 Cb 0.45 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.78 1ji8 n ASP 19 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1ji8 h GLU 20 N 0.00 0.16 -1.06 -0.67 4.57 -1.91 -3.06 114.58 112.60 1ji8 h GLU 20 Ca 0.00 -0.05 -0.62 0.00 -1.18 0.00 0.00 59.36 57.51 1ji8 h GLU 20 Cb 0.00 -0.01 -0.27 0.00 -0.16 0.00 0.00 28.75 28.30 1ji8 h GLU 20 CO 0.00 0.43 0.80 -3.47 -1.18 0.00 0.00 179.01 175.59 1ji8 n ASP 21 N -4.82 7.24 -2.69 1.04 2.03 -1.26 -4.26 116.55 113.83 1ji8 n ASP 21 Ca -0.06 -3.68 -0.19 0.00 0.52 0.00 0.00 54.79 51.37 1ji8 n ASP 21 Cb 0.20 -0.98 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 1ji8 n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ji8 s PHE 23 N -2.96 3.14 -0.36 0.00 2.19 -1.26 -4.59 117.98 114.13 1ji8 s PHE 23 Ca 0.13 1.49 -0.15 0.00 0.33 0.00 0.00 56.93 58.73 1ji8 s PHE 23 Cb -0.06 -2.94 -0.00 0.00 -1.31 0.00 0.00 43.02 38.71 1ji8 s PHE 23 CO 0.16 -0.91 0.32 -1.64 1.83 0.00 0.00 175.22 174.97 1ji8 s MET 24 N -4.16 3.37 -0.06 10.12 -1.94 -1.26 -1.84 119.30 123.53 1ji8 s MET 24 Ca 0.62 -0.65 0.07 0.00 -1.71 0.00 0.00 55.69 54.02 1ji8 s MET 24 Cb -0.14 -3.86 0.31 0.00 2.01 0.00 0.00 34.83 33.15 1ji8 s MET 24 CO 0.37 -0.58 1.10 1.04 -0.01 0.00 0.00 175.02 176.94 1ji8 n GLN 25 N 5.27 2.27 -3.18 2.03 6.02 -1.24 -4.29 117.38 124.26 1ji8 n GLN 25 Ca -0.10 -1.23 -0.24 0.00 -0.01 0.00 0.00 57.00 55.41 1ji8 n GLN 25 Cb 0.49 -1.59 -0.05 0.00 1.02 0.00 0.00 30.24 30.10 1ji8 n GLN 25 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1ji8 n ASN 26 N 0.32 2.52 0.15 1.08 5.15 -1.26 -4.86 115.26 118.36 1ji8 n ASN 26 Ca 0.11 -3.25 0.13 0.00 -0.60 0.00 0.00 54.58 50.97 1ji8 n ASN 26 Cb 0.49 -0.62 0.49 0.00 -0.53 0.00 0.00 39.78 39.61 1ji8 n ASN 26 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1ji8 h PRO 27 N 3.51 0.00 0.00 1.20 0.13 -1.86 -2.86 132.00 132.13 1ji8 h PRO 27 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1ji8 h PRO 27 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1ji8 h PRO 27 CO 0.67 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.37 1ji8 h GLU 28 N 0.00 0.00 -0.12 0.86 5.08 -1.95 -2.76 114.58 115.69 1ji8 h GLU 28 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ji8 h GLU 28 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1ji8 h GLU 28 CO 0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 1ji8 n ASP 29 N -2.45 2.52 -4.75 1.42 9.92 -1.08 -5.04 116.55 117.09 1ji8 n ASP 29 Ca 0.02 -2.31 -0.37 0.00 -0.53 0.00 0.00 54.79 51.60 1ji8 n ASP 29 Cb 0.26 -0.20 0.03 0.00 -0.64 0.00 0.00 41.12 40.57 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 -1.54 2.41 0.00 1.24 -0.00 -1.04 -4.81 118.94 115.19 1ji8 s TRP 30 Ca 0.17 1.46 0.00 0.00 -0.00 0.00 0.00 56.10 57.73 1ji8 s TRP 30 Cb 0.12 -3.61 0.00 0.00 -0.00 0.00 0.00 33.47 29.98 1ji8 s TRP 30 CO 0.06 -2.43 0.00 -3.47 -0.00 0.00 0.00 176.95 171.11 1ji8 n ASP 31 N -1.19 0.00 0.08 5.86 -0.08 -1.26 -4.96 116.55 115.00 1ji8 n ASP 31 Ca 0.11 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.31 1ji8 n ASP 31 Cb 0.47 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.95 1ji8 n ASP 31 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1ji8 h GLU 32 N 0.00 0.24 -0.23 -0.67 4.81 -1.99 -2.15 114.58 114.59 1ji8 h GLU 32 Ca 0.00 -0.24 -0.20 0.00 -0.13 0.00 0.00 59.36 58.79 1ji8 h GLU 32 Cb 0.00 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1ji8 h GLU 32 CO 0.00 0.94 -0.65 0.87 -0.73 0.00 0.00 179.01 179.44 1ji8 h LYS 33 N 0.15 0.84 -0.13 1.92 1.57 -1.95 -1.91 116.57 117.06 1ji8 h LYS 33 Ca -0.04 -0.60 -0.19 0.00 -1.87 0.00 0.00 60.65 57.95 1ji8 h LYS 33 Cb 1.43 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.83 1ji8 h LYS 33 CO 0.13 1.22 -0.70 0.28 -0.57 0.00 0.00 179.45 179.81 1ji8 h VAL 34 N 0.62 1.33 0.02 0.50 2.07 -1.87 -2.25 116.25 116.67 1ji8 h VAL 34 Ca -0.01 -2.00 -0.00 0.00 0.82 0.00 0.00 66.70 65.50 1ji8 h VAL 34 Cb 1.26 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 1ji8 h VAL 34 CO 0.14 0.62 -0.01 0.00 0.02 0.00 0.00 177.57 178.33 1ji8 h ALA 35 N 0.82 -0.03 -0.33 1.67 0.00 -1.40 -1.89 119.26 118.11 1ji8 h ALA 35 Ca -0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ji8 h ALA 35 Cb 1.29 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1ji8 h ALA 35 CO 0.13 -0.27 0.20 1.49 0.00 0.00 0.00 179.25 180.80 1ji8 h GLU 36 N -0.53 0.44 0.47 0.00 4.22 -1.42 -2.24 114.58 115.52 1ji8 h GLU 36 Ca -0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.38 1ji8 h GLU 36 Cb 0.50 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1ji8 h GLU 36 CO 0.01 0.33 -0.22 2.35 -2.18 0.00 0.00 179.01 179.29 1ji8 h TRP 37 N 0.42 -0.58 -0.94 0.92 7.01 -1.45 -2.05 115.95 119.27 1ji8 h TRP 37 Ca 0.12 -0.01 0.18 0.00 2.11 0.00 0.00 58.89 61.29 1ji8 h TRP 37 Cb 0.00 0.19 -0.11 0.00 -2.10 0.00 0.00 29.16 27.15 1ji8 h TRP 37 CO -0.04 -0.35 0.53 1.25 -2.79 0.00 0.00 178.44 177.03 1ji8 h LEU 38 N -0.64 0.65 -0.87 0.65 5.85 -1.26 0.51 115.31 120.19 1ji8 h LEU 38 Ca -0.06 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1ji8 h LEU 38 Cb 0.49 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1ji8 h LEU 38 CO 0.11 0.21 -0.06 0.00 -0.34 0.00 0.00 178.44 178.36 1ji8 h ALA 39 N 1.63 1.05 -0.21 1.25 0.00 -1.09 -1.30 119.26 120.59 1ji8 h ALA 39 Ca 0.55 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 1ji8 h ALA 39 Cb 0.86 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ji8 h ALA 39 CO -0.40 0.58 -0.44 -0.09 0.00 0.00 0.00 179.25 178.90 1ji8 h ARG 40 N 0.72 0.53 0.00 0.00 1.12 -0.22 -0.46 114.38 116.06 1ji8 h ARG 40 Ca 0.13 -0.28 -0.18 0.00 -1.11 0.00 0.00 59.98 58.54 1ji8 h ARG 40 Cb 0.52 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.47 1ji8 h ARG 40 CO 0.03 0.87 -0.86 0.93 -3.11 0.00 0.00 179.97 177.83 1ji8 h GLU 41 N 0.43 0.00 0.00 0.20 4.39 -1.07 -3.20 114.58 115.32 1ji8 h GLU 41 Ca 0.03 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1ji8 h GLU 41 Cb 0.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1ji8 h GLU 41 CO 0.08 0.86 0.00 1.28 -1.16 0.00 0.00 179.01 180.07 1ji8 n LEU 42 N -3.52 1.53 -0.05 1.33 4.77 -0.51 -4.32 117.00 116.22 1ji8 n LEU 42 Ca -0.00 0.17 -0.02 0.00 -0.03 0.00 0.00 56.01 56.13 1ji8 n LEU 42 Cb 0.82 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.70 1ji8 n LEU 42 CO 0.45 -0.20 -0.16 -0.08 -1.33 0.00 0.00 177.39 176.07 1ji8 h GLU 43 N 0.00 0.00 0.00 3.23 4.81 -1.54 -3.46 114.58 117.62 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 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 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 1.72 0.45 3.55 1.92 0.00 -0.27 -4.97 105.19 107.59 1ji8 n GLY 44 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.67 3.68 0.54 -0.61 1.01 -1.22 -4.84 121.20 119.09 1ji8 s ILE 45 Ca 0.00 0.37 0.20 0.00 0.00 0.00 0.00 60.65 61.22 1ji8 s ILE 45 Cb 0.00 -4.81 0.30 0.00 0.01 0.00 0.00 42.46 37.95 1ji8 s ILE 45 CO 0.00 -1.76 2.16 0.06 0.00 0.00 0.00 174.94 175.40 1ji8 h GLN 46 N 10.56 0.00 -2.98 2.79 -0.00 -1.96 -3.40 115.11 120.12 1ji8 h GLN 46 Ca -0.27 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.09 1ji8 h GLN 46 Cb 1.06 0.00 -0.35 0.00 -0.00 0.00 0.00 27.48 28.19 1ji8 h GLN 46 CO 1.28 0.00 -0.62 0.21 -0.00 0.00 0.00 178.83 179.69 1ji8 s LYS 47 N -4.97 0.07 0.34 0.06 2.20 -1.26 -5.11 119.74 111.07 1ji8 s LYS 47 Ca -0.05 0.53 -0.26 0.00 -0.36 0.00 0.00 55.97 55.83 1ji8 s LYS 47 Cb 0.17 -0.40 -0.13 0.00 -1.51 0.00 0.00 37.83 35.96 1ji8 s LYS 47 CO 0.65 -0.36 0.85 -0.12 -0.36 0.00 0.00 175.35 176.01 1ji8 n MET 48 N 5.33 1.03 -3.53 4.03 1.56 -1.26 -4.94 117.12 119.33 1ji8 n MET 48 Ca -0.05 0.37 -0.33 0.00 -0.27 0.00 0.00 57.70 57.41 1ji8 n MET 48 Cb 0.50 -1.73 -0.05 0.00 2.15 0.00 0.00 33.22 34.09 1ji8 n MET 48 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1ji8 s THR 49 N -1.20 5.04 0.35 1.12 2.01 -1.26 -4.98 115.64 116.72 1ji8 s THR 49 Ca 0.61 0.41 0.05 0.00 0.31 0.00 0.00 61.69 63.06 1ji8 s THR 49 Cb -0.67 -3.64 0.29 0.00 0.01 0.00 0.00 72.50 68.49 1ji8 s THR 49 CO 0.58 0.14 1.95 1.05 -0.69 0.00 0.00 174.62 177.65 1ji8 h GLU 50 N 3.21 0.80 -0.26 4.92 4.11 -2.00 -0.98 114.58 124.37 1ji8 h GLU 50 Ca -0.48 -0.05 -0.09 0.00 0.07 0.00 0.00 59.36 58.81 1ji8 h GLU 50 Cb 1.18 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1ji8 h GLU 50 CO 0.68 0.53 -0.22 0.93 0.07 0.00 0.00 179.01 181.00 1ji8 h GLU 51 N 0.82 0.49 0.19 1.06 4.39 -1.99 -2.22 114.58 117.32 1ji8 h GLU 51 Ca 0.33 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 1ji8 h GLU 51 Cb 0.24 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1ji8 h GLU 51 CO -0.11 0.68 -0.09 0.45 -1.16 0.00 0.00 179.01 178.78 1ji8 h HIS 52 N 0.44 -0.23 -0.14 4.33 3.86 -1.59 -2.42 115.15 119.40 1ji8 h HIS 52 Ca 0.07 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.31 1ji8 h HIS 52 Cb 0.62 0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.17 1ji8 h HIS 52 CO 0.02 0.16 0.12 -1.49 0.86 0.00 0.00 177.93 177.59 1ji8 h TRP 53 N -0.70 0.00 0.34 2.45 -0.00 -1.39 -2.09 115.95 114.55 1ji8 h TRP 53 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.85 1ji8 h TRP 53 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.66 1ji8 h TRP 53 CO 0.06 0.00 -0.16 -0.22 -0.00 0.00 0.00 178.44 178.11 1ji8 h LYS 54 N 0.00 -0.43 -0.98 0.49 3.64 -1.26 -1.38 116.57 116.64 1ji8 h LYS 54 Ca 0.06 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.62 1ji8 h LYS 54 Cb 0.30 0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.13 1ji8 h LYS 54 CO -0.00 -0.12 0.62 1.25 -2.27 0.00 0.00 179.45 178.92 1ji8 h LEU 55 N -0.97 0.84 -0.93 5.20 5.85 -1.11 0.82 115.31 125.02 1ji8 h LEU 55 Ca -0.05 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 1ji8 h LEU 55 Cb 0.51 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1ji8 h LEU 55 CO 0.08 0.41 -0.45 0.58 -0.34 0.00 0.00 178.44 178.72 1ji8 h VAL 56 N 0.88 1.33 -0.02 1.05 2.07 -1.39 -2.19 116.25 117.99 1ji8 h VAL 56 Ca 0.51 -1.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1ji8 h VAL 56 Cb 0.63 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1ji8 h VAL 56 CO -0.28 0.47 0.00 0.50 0.02 0.00 0.00 177.57 178.29 1ji8 h LYS 57 N 0.16 0.03 -0.46 1.57 3.11 0.32 -1.99 116.57 119.30 1ji8 h LYS 57 Ca 0.01 -0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 1ji8 h LYS 57 Cb 0.86 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.07 1ji8 h LYS 57 CO 0.07 0.25 -0.06 -0.92 -2.81 0.00 0.00 179.45 175.98 1ji8 h TYR 58 N -0.21 0.86 -0.01 1.91 5.03 -1.39 -2.79 116.97 120.38 1ji8 h TYR 58 Ca 0.00 -0.14 -0.00 0.00 2.58 0.00 0.00 58.73 61.17 1ji8 h TYR 58 Cb 0.24 -0.23 -0.00 0.00 1.55 0.00 0.00 36.73 38.29 1ji8 h TYR 58 CO 0.00 0.83 0.01 -0.07 -1.32 0.00 0.00 178.16 177.61 1ji8 h LEU 59 N 0.73 0.02 -2.10 2.82 3.38 -1.27 -2.14 115.31 116.75 1ji8 h LEU 59 Ca 0.13 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ji8 h LEU 59 Cb 0.53 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1ji8 h LEU 59 CO 0.03 0.05 -0.00 -0.09 0.09 0.00 0.00 178.44 178.51 1ji8 h ARG 60 N -0.01 0.00 0.64 1.13 2.43 -1.27 -1.34 114.38 115.96 1ji8 h ARG 60 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1ji8 h ARG 60 Cb 0.03 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1ji8 h ARG 60 CO -0.00 0.00 -0.46 1.49 -1.51 0.00 0.00 179.97 179.49 1ji8 h GLU 61 N 0.00 -1.01 0.00 0.20 4.81 -1.11 -1.82 114.58 115.65 1ji8 h GLU 61 Ca -0.00 0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1ji8 h GLU 61 Cb 0.01 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1ji8 h GLU 61 CO 0.00 -0.68 -0.31 -0.92 -0.73 0.00 0.00 179.01 176.37 1ji8 h TYR 62 N -1.05 0.00 0.00 0.92 3.20 -1.48 -2.59 116.97 115.96 1ji8 h TYR 62 Ca -0.08 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.79 1ji8 h TYR 62 Cb 0.87 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.14 1ji8 h TYR 62 CO -0.15 0.31 -0.00 2.35 -1.64 0.00 0.00 178.16 179.03 1ji8 h TRP 63 N 0.00 0.00 -0.02 -3.82 7.01 -0.84 -1.50 115.95 116.78 1ji8 h TRP 63 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1ji8 h TRP 63 Cb 0.72 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.78 1ji8 h TRP 63 CO 0.00 0.00 -0.04 0.39 -2.79 0.00 0.00 178.44 176.01 1ji8 n GLU 64 N -3.10 2.03 -0.03 2.65 1.02 -0.72 -3.07 120.64 119.41 1ji8 n GLU 64 Ca -0.01 -1.56 -0.05 0.00 -0.02 0.00 0.00 57.16 55.52 1ji8 n GLU 64 Cb 0.21 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 1ji8 n GLU 64 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1ji8 n THR 65 N 0.88 1.32 -0.04 2.62 -1.04 -0.62 -4.75 114.28 112.65 1ji8 n THR 65 Ca 0.15 0.25 0.08 0.00 -2.04 0.00 0.00 64.05 62.49 1ji8 n THR 65 Cb 0.52 -1.99 0.18 0.00 -1.82 0.00 0.00 70.33 67.21 1ji8 n THR 65 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1ji8 n PHE 66 N -3.98 0.49 -3.59 -1.42 3.72 -0.86 -5.00 117.46 106.82 1ji8 n PHE 66 Ca -0.08 -0.38 -0.18 0.00 -0.05 0.00 0.00 57.45 56.76 1ji8 n PHE 66 Cb 0.29 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 1ji8 n PHE 66 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ji8 n GLY 67 N 0.90 -1.29 3.35 1.37 0.00 -1.17 -4.99 105.19 103.35 1ji8 n GLY 67 Ca 0.14 0.57 -0.15 0.00 0.00 0.00 0.00 46.02 46.58 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 -3.00 0.03 -0.71 2.61 2.01 -1.26 -4.89 115.64 110.43 1ji8 s THR 68 Ca 0.01 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 61.80 1ji8 s THR 68 Cb -0.00 -0.73 0.17 0.00 0.01 0.00 0.00 72.50 71.95 1ji8 s THR 68 CO 0.86 -0.12 0.52 0.00 -0.69 0.00 0.00 174.62 175.18 1ji8 s PRO 70 N -0.99 0.95 0.00 0.00 0.04 -1.26 -4.95 135.00 128.79 1ji8 s PRO 70 Ca 0.23 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1ji8 s PRO 70 Cb -0.12 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1ji8 s PRO 70 CO -0.10 -2.34 0.00 -0.35 0.04 0.00 0.00 177.00 174.25 1ji8 n PRO 71 N -3.88 0.96 -1.46 0.56 -0.04 -1.26 -4.78 135.00 125.11 1ji8 n PRO 71 Ca 0.06 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.18 1ji8 n PRO 71 Cb 0.59 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.12 1ji8 n PRO 71 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1ji8 n ILE 72 N -0.40 3.48 -0.04 0.52 2.08 -1.26 -4.57 119.36 119.18 1ji8 n ILE 72 Ca 0.00 -3.18 -0.07 0.00 0.56 0.00 0.00 62.75 60.06 1ji8 n ILE 72 Cb 0.00 -1.16 -0.02 0.00 -0.75 0.00 0.00 39.64 37.70 1ji8 n ILE 72 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1ji8 n LYS 73 N -0.87 0.33 0.25 0.38 5.02 -1.26 -4.21 118.16 117.79 1ji8 n LYS 73 Ca 0.60 0.13 0.08 0.00 -2.02 0.00 0.00 58.31 57.11 1ji8 n LYS 73 Cb 0.68 -1.07 0.64 0.00 -0.02 0.00 0.00 35.03 35.25 1ji8 n LYS 73 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1ji8 h MET 74 N -0.61 0.00 -0.23 1.97 2.86 -1.98 -2.21 114.93 114.73 1ji8 h MET 74 Ca -0.05 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.41 1ji8 h MET 74 Cb 0.70 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.36 1ji8 h MET 74 CO -0.03 0.08 -0.57 0.28 1.06 0.00 0.00 176.91 177.73 1ji8 h VAL 75 N 0.00 1.30 0.00 -2.22 2.07 -1.81 -2.96 116.25 112.63 1ji8 h VAL 75 Ca -0.00 -1.79 -0.03 0.00 0.82 0.00 0.00 66.70 65.70 1ji8 h VAL 75 Cb 0.15 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1ji8 h VAL 75 CO 0.01 0.57 -0.13 0.74 0.02 0.00 0.00 177.57 178.78 1ji8 h THR 76 N 0.54 0.80 -0.91 2.57 2.02 -1.57 -2.37 112.91 113.99 1ji8 h THR 76 Ca 0.01 -0.51 0.26 0.00 0.77 0.00 0.00 66.41 66.94 1ji8 h THR 76 Cb 1.15 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.82 1ji8 h THR 76 CO 0.12 0.13 0.66 0.50 0.37 0.00 0.00 175.52 177.29 1ji8 h LYS 77 N 0.00 0.00 -0.86 6.66 1.63 -1.40 -2.54 116.57 120.06 1ji8 h LYS 77 Ca -0.00 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.45 1ji8 h LYS 77 Cb 0.29 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 31.52 1ji8 h LYS 77 CO 0.02 0.00 -1.13 0.39 -3.45 0.00 0.00 179.45 175.28 1ji8 n GLU 78 N -4.25 1.59 0.01 1.90 -0.58 -0.91 -4.89 120.64 113.52 1ji8 n GLU 78 Ca 0.19 -3.46 0.00 0.00 -0.42 0.00 0.00 57.16 53.47 1ji8 n GLU 78 Cb 0.98 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 30.38 1ji8 n GLU 78 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1ji8 n THR 79 N -0.28 0.00 -0.66 2.62 -1.04 -0.97 -5.08 114.28 108.87 1ji8 n THR 79 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1ji8 n THR 79 Cb 0.81 -0.29 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 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 0.26 0.52 3.18 3.41 0.00 -1.18 -5.05 105.19 106.33 1ji8 n GLY 80 Ca 0.00 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.44 1.51 -0.16 1.61 0.08 -1.26 -5.11 117.98 112.21 1ji8 s PHE 81 Ca 0.00 -0.34 -0.05 0.00 0.12 0.00 0.00 56.93 56.66 1ji8 s PHE 81 Cb 0.00 -0.91 -0.03 0.00 -0.57 0.00 0.00 43.02 41.50 1ji8 s PHE 81 CO 0.00 0.04 0.00 0.45 -0.10 0.00 0.00 175.22 175.61 1ji8 s SER 82 N -0.96 5.13 0.42 1.36 0.15 -1.26 -4.95 113.70 113.60 1ji8 s SER 82 Ca 0.05 -0.03 0.15 0.00 0.70 0.00 0.00 55.95 56.81 1ji8 s SER 82 Cb -0.08 -1.83 1.03 0.00 -1.71 0.00 0.00 66.02 63.43 1ji8 s SER 82 CO 0.01 0.19 1.93 0.25 1.20 0.00 0.00 173.24 176.82 1ji8 h LEU 83 N 6.59 0.40 0.38 3.45 5.85 -2.00 -2.22 115.31 127.77 1ji8 h LEU 83 Ca -0.34 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1ji8 h LEU 83 Cb 1.18 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1ji8 h LEU 83 CO 0.65 0.22 -0.27 -0.08 -0.34 0.00 0.00 178.44 178.62 1ji8 h GLU 84 N 0.43 -0.62 -0.27 1.25 4.81 -2.00 -1.51 114.58 116.68 1ji8 h GLU 84 Ca 0.35 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.69 1ji8 h GLU 84 Cb 0.75 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.21 1ji8 h GLU 84 CO -0.11 -0.41 -0.19 -0.22 -0.73 0.00 0.00 179.01 177.34 1ji8 h LYS 85 N -0.64 -0.17 -0.56 1.92 1.63 -1.83 0.14 116.57 117.06 1ji8 h LYS 85 Ca -0.03 0.01 0.14 0.00 -0.85 0.00 0.00 60.65 59.92 1ji8 h LYS 85 Cb 0.55 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.19 1ji8 h LYS 85 CO 0.01 -0.11 0.39 0.82 -3.45 0.00 0.00 179.45 177.11 1ji8 h ILE 86 N -0.18 0.77 0.07 2.00 2.04 -1.31 -1.77 117.51 119.13 1ji8 h ILE 86 Ca 0.15 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 1ji8 h ILE 86 Cb 0.40 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1ji8 h ILE 86 CO -0.38 0.02 -0.03 1.88 0.00 0.00 0.00 178.15 179.64 1ji8 h TYR 87 N 0.11 -0.09 -0.08 1.37 -1.99 0.33 -1.67 116.97 114.94 1ji8 h TYR 87 Ca 0.27 -0.00 0.01 0.00 2.00 0.00 0.00 58.73 61.00 1ji8 h TYR 87 Cb 0.91 0.03 -0.00 0.00 2.00 0.00 0.00 36.73 39.67 1ji8 h TYR 87 CO -0.00 0.29 0.05 0.37 -0.00 0.00 0.00 178.16 178.88 1ji8 h GLN 88 N -0.49 0.08 0.11 4.88 4.15 -0.71 -3.17 115.11 119.96 1ji8 h GLN 88 Ca -0.01 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1ji8 h GLN 88 Cb 0.42 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.10 1ji8 h GLN 88 CO 0.02 0.05 -0.05 -0.07 -1.93 0.00 0.00 178.83 176.84 1ji8 h LEU 89 N 0.08 -0.13 -7.95 -2.39 3.38 -1.21 -3.42 115.31 103.67 1ji8 h LEU 89 Ca 0.03 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.30 1ji8 h LEU 89 Cb 0.04 0.03 -0.32 0.00 0.09 0.00 0.00 40.66 40.50 1ji8 h LEU 89 CO -0.01 0.02 -0.51 0.12 0.09 0.00 0.00 178.44 178.15 1ji8 s PHE 90 N -2.11 3.46 -0.80 1.13 2.19 -0.64 -5.03 117.98 116.17 1ji8 s PHE 90 Ca -0.02 -2.03 -0.25 0.00 0.33 0.00 0.00 56.93 54.95 1ji8 s PHE 90 Cb 0.00 -3.09 -0.01 0.00 -1.31 0.00 0.00 43.02 38.61 1ji8 s PHE 90 CO 0.07 -0.93 1.73 -1.25 1.83 0.00 0.00 175.22 176.67 1ji8 s PRO 91 N 1.27 2.85 0.00 10.12 0.04 -1.22 -3.77 135.00 144.29 1ji8 s PRO 91 Ca 0.05 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 60.96 1ji8 s PRO 91 Cb -0.23 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.55 1ji8 s PRO 91 CO -0.02 -2.79 0.00 0.43 0.04 0.00 0.00 177.00 174.67 1ji8 n SER 92 N 12.02 0.00 0.00 6.66 7.64 -1.26 -5.14 113.62 133.54 1ji8 n SER 92 Ca 0.27 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1ji8 n SER 92 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.00 4.15 0.00 0.23 0.00 -1.25 -4.96 105.19 103.36 1ji8 n GLY 93 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.19 0.52 0.00 1.61 -0.04 -1.26 -2.42 135.00 133.22 1ji8 n PRO 94 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ji8 n PRO 94 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -0.00 0.55 0.00 -1.26 -2.17 120.51 114.62 1ji8 n ALA 95 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1ji8 n ALA 95 Cb 0.00 0.00 0.44 0.00 0.00 0.00 0.00 19.45 19.89 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 0.48 0.15 0.00 3.86 -1.92 -2.03 115.15 115.69 1ji8 h HIS 96 Ca 0.00 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1ji8 h HIS 96 Cb 0.00 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.31 1ji8 h HIS 96 CO 0.00 0.29 -0.07 0.78 0.86 0.00 0.00 177.93 179.79 1ji8 h GLY 97 N 0.51 -0.21 -0.74 2.45 0.00 -1.08 -1.55 103.07 102.46 1ji8 h GLY 97 Ca 0.16 0.08 0.15 0.00 0.00 0.00 0.00 47.33 47.72 1ji8 h GLY 97 CO -0.04 -0.08 -0.30 0.00 0.00 0.00 0.00 176.54 176.12 1ji8 h ALA 98 N -1.77 0.29 -0.42 3.60 0.00 -1.74 0.26 119.26 119.49 1ji8 h ALA 98 Ca -0.02 0.28 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1ji8 h ALA 98 Cb 0.16 0.80 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1ji8 h ALA 98 CO 0.03 -0.54 0.17 0.00 0.00 0.00 0.00 179.25 178.92 1ji8 h LYS 100 N 0.36 0.53 -0.06 0.00 1.63 0.58 0.78 116.57 120.38 1ji8 h LYS 100 Ca 0.19 -0.03 -0.21 0.00 -0.85 0.00 0.00 60.65 59.75 1ji8 h LYS 100 Cb 0.15 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1ji8 h LYS 100 CO -0.17 0.35 -0.83 0.28 -3.45 0.00 0.00 179.45 175.63 1ji8 h VAL 101 N 0.54 1.37 0.00 2.00 2.07 -0.53 -3.08 116.25 118.62 1ji8 h VAL 101 Ca 0.51 -2.23 -0.02 0.00 0.82 0.00 0.00 66.70 65.78 1ji8 h VAL 101 Cb 1.07 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1ji8 h VAL 101 CO -0.25 0.67 -0.10 0.00 0.02 0.00 0.00 177.57 177.92 1ji8 h ALA 102 N 0.79 1.01 -3.95 1.67 0.00 -0.14 -3.44 119.26 115.19 1ji8 h ALA 102 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ji8 h ALA 102 Cb 1.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1ji8 h ALA 102 CO 0.15 0.12 -0.05 0.41 0.00 0.00 0.00 179.25 179.88 1ji8 n GLY 103 N 0.18 -0.74 2.68 0.00 0.00 -0.23 -4.99 105.19 102.09 1ji8 n GLY 103 Ca 0.01 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.69 1.08 -0.29 4.61 0.00 -1.25 -4.76 121.76 118.47 1ji8 s ALA 104 Ca 0.02 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 50.54 1ji8 s ALA 104 Cb -0.01 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 1ji8 s ALA 104 CO 0.30 -1.49 1.47 -1.25 0.00 0.00 0.00 175.76 174.80 1ji8 s PRO 105 N 1.84 3.78 -0.53 0.00 0.04 -1.26 -4.90 135.00 133.98 1ji8 s PRO 105 Ca 0.06 1.38 -0.33 0.00 0.04 0.00 0.00 61.00 62.14 1ji8 s PRO 105 Cb -0.17 -3.98 -0.13 0.00 0.04 0.00 0.00 34.50 30.26 1ji8 s PRO 105 CO -0.22 -1.30 2.34 1.17 0.04 0.00 0.00 177.00 179.03 1ji8 n LYS 106 N 7.63 0.75 -2.23 4.56 4.81 -1.26 -4.88 118.16 127.54 1ji8 n LYS 106 Ca 0.17 0.15 -0.34 0.00 -0.87 0.00 0.00 58.31 57.42 1ji8 n LYS 106 Cb 0.46 -2.37 -0.00 0.00 0.02 0.00 0.00 35.03 33.15 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 7.19 3.42 -0.64 1.64 0.04 -1.26 -4.98 135.00 140.41 1ji8 s PRO 107 Ca 1.14 1.39 0.01 0.00 0.04 0.00 0.00 61.00 63.58 1ji8 s PRO 107 Cb -0.87 -2.03 0.39 0.00 0.04 0.00 0.00 34.50 32.03 1ji8 s PRO 107 CO 0.46 -0.76 1.60 2.41 0.04 0.00 0.00 177.00 180.75 1ji8 n THR 108 N -1.54 3.02 -0.19 1.26 -1.04 -1.26 -4.96 114.28 109.58 1ji8 n THR 108 Ca 0.10 -4.50 0.00 0.00 -2.04 0.00 0.00 64.05 57.61 1ji8 n THR 108 Cb 0.52 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 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 -0.54 -0.14 3.33 3.41 0.00 -1.26 -5.00 105.19 104.99 1ji8 n GLY 109 Ca 0.48 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 1ji8 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32