#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ji8 n PRO 2 N 0.00 -2.34 -4.06 2.12 -0.04 -1.26 -5.09 135.00 124.33 1ji8 n PRO 2 Ca 0.00 -1.55 -0.08 0.00 -0.04 0.00 0.00 63.50 61.83 1ji8 n PRO 2 Cb 0.00 -1.32 -0.09 0.00 -0.04 0.00 0.00 33.50 32.04 1ji8 n PRO 2 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ji8 s VAL 3 N -2.90 0.18 0.05 0.52 -7.23 -1.26 -5.17 120.40 104.60 1ji8 s VAL 3 Ca 0.61 -1.71 0.04 0.00 -1.81 0.00 0.00 61.98 59.12 1ji8 s VAL 3 Cb -0.05 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 1ji8 s VAL 3 CO 0.46 -0.82 -0.13 -0.75 -0.31 0.00 0.00 175.10 173.55 1ji8 s LYS 4 N -3.94 0.80 -0.09 4.82 2.20 -1.26 -5.12 119.74 117.16 1ji8 s LYS 4 Ca 0.10 -0.82 -0.04 0.00 -0.36 0.00 0.00 55.97 54.85 1ji8 s LYS 4 Cb 0.07 -0.77 -0.04 0.00 -1.51 0.00 0.00 37.83 35.58 1ji8 s LYS 4 CO -0.08 0.18 0.09 0.00 -0.36 0.00 0.00 175.35 175.18 1ji8 s PRO 6 N -1.13 3.05 -0.30 0.00 0.04 -1.23 -4.96 135.00 130.48 1ji8 s PRO 6 Ca 0.16 0.97 -0.22 0.00 0.04 0.00 0.00 61.00 61.96 1ji8 s PRO 6 Cb -0.12 -2.00 0.19 0.00 0.04 0.00 0.00 34.50 32.61 1ji8 s PRO 6 CO 0.06 -1.01 1.35 0.20 0.04 0.00 0.00 177.00 177.64 1ji8 s GLY 7 N -3.68 0.42 -0.07 0.56 0.00 -0.72 -5.01 107.32 98.82 1ji8 s GLY 7 Ca 0.58 3.58 -0.04 0.00 0.00 0.00 0.00 44.72 48.84 1ji8 s GLY 7 CO 0.52 2.24 0.13 1.85 0.00 0.00 0.00 173.10 177.84 1ji8 s GLU 8 N 0.42 3.35 -0.04 2.90 2.12 -1.26 -1.25 118.70 124.93 1ji8 s GLU 8 Ca 0.01 -0.26 -0.16 0.00 0.36 0.00 0.00 54.97 54.92 1ji8 s GLU 8 Cb -0.04 -3.08 0.03 0.00 0.26 0.00 0.00 34.13 31.30 1ji8 s GLU 8 CO -0.13 0.72 0.35 0.71 -0.54 0.00 0.00 175.26 176.38 1ji8 s TYR 9 N -1.13 -0.26 -0.04 5.30 2.02 -0.72 -4.98 117.35 117.55 1ji8 s TYR 9 Ca 0.20 0.46 -0.03 0.00 -0.37 0.00 0.00 57.07 57.32 1ji8 s TYR 9 Cb -0.12 0.13 -0.04 0.00 -0.40 0.00 0.00 41.96 41.53 1ji8 s TYR 9 CO 0.10 -0.38 0.13 -0.65 -1.57 0.00 0.00 175.55 173.17 1ji8 s GLN 10 N -1.09 3.30 -0.43 -0.62 1.11 -1.26 -1.31 119.66 119.36 1ji8 s GLN 10 Ca -0.11 -0.33 0.04 0.00 0.01 0.00 0.00 55.36 54.97 1ji8 s GLN 10 Cb -0.04 -3.03 0.12 0.00 -1.01 0.00 0.00 33.01 29.04 1ji8 s GLN 10 CO 0.04 0.70 0.16 0.08 0.01 0.00 0.00 175.29 176.28 1ji8 s VAL 11 N -1.18 2.39 -0.98 1.09 1.01 -1.14 -4.81 120.40 116.78 1ji8 s VAL 11 Ca 0.22 -2.82 -0.10 0.00 0.00 0.00 0.00 61.98 59.28 1ji8 s VAL 11 Cb -0.12 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1ji8 s VAL 11 CO 0.12 -0.71 0.78 0.47 0.00 0.00 0.00 175.10 175.77 1ji8 n ASP 12 N 3.68 -6.18 -0.23 3.32 8.00 -1.26 -1.74 116.55 122.13 1ji8 n ASP 12 Ca 0.04 -0.71 -0.03 0.00 0.71 0.00 0.00 54.79 54.80 1ji8 n ASP 12 Cb 0.37 -4.05 -0.01 0.00 -0.02 0.00 0.00 41.12 37.41 1ji8 n ASP 12 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ji8 n GLY 13 N -1.60 0.59 3.95 0.44 0.00 -1.26 -5.01 105.19 102.31 1ji8 n GLY 13 Ca -0.09 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.51 2.71 -0.23 1.61 -0.14 -0.71 -5.11 119.74 116.36 1ji8 s LYS 14 Ca 0.00 -1.36 -0.01 0.00 -1.36 0.00 0.00 55.97 53.24 1ji8 s LYS 14 Cb 0.00 -2.60 0.07 0.00 -1.68 0.00 0.00 37.83 33.61 1ji8 s LYS 14 CO 0.00 -0.24 0.01 0.21 -0.76 0.00 0.00 175.35 174.57 1ji8 s LYS 15 N -4.26 1.05 0.04 1.68 2.47 -1.26 -2.90 119.74 116.56 1ji8 s LYS 15 Ca 0.52 -0.75 0.07 0.00 -1.56 0.00 0.00 55.97 54.25 1ji8 s LYS 15 Cb -0.07 -2.30 -0.03 0.00 -1.46 0.00 0.00 37.83 33.96 1ji8 s LYS 15 CO 0.31 -0.67 -0.19 0.08 0.16 0.00 0.00 175.35 175.03 1ji8 s VAL 16 N 1.63 2.69 -0.33 4.02 1.01 -0.43 -4.92 120.40 124.08 1ji8 s VAL 16 Ca -0.01 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 60.74 1ji8 s VAL 16 Cb -0.18 -2.12 0.11 0.00 0.00 0.00 0.00 36.38 34.19 1ji8 s VAL 16 CO -0.09 0.34 0.14 -0.63 0.00 0.00 0.00 175.10 174.85 1ji8 s ILE 17 N -0.91 0.63 -0.37 2.22 1.01 -1.06 -1.75 121.20 120.98 1ji8 s ILE 17 Ca 0.14 -1.44 -0.29 0.00 0.00 0.00 0.00 60.65 59.07 1ji8 s ILE 17 Cb -0.10 -1.48 -0.00 0.00 0.01 0.00 0.00 42.46 40.88 1ji8 s ILE 17 CO 0.05 -0.76 1.58 -0.76 0.00 0.00 0.00 174.94 175.06 1ji8 s LEU 18 N 1.50 3.56 0.00 2.97 1.43 -0.38 -3.70 118.68 124.06 1ji8 s LEU 18 Ca 0.12 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 1ji8 s LEU 18 Cb -0.19 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1ji8 s LEU 18 CO -0.22 -1.54 0.00 -0.67 0.23 0.00 0.00 176.35 174.15 1ji8 n ASP 19 N 9.43 0.00 -0.17 2.29 -0.08 -0.79 -1.76 116.55 125.48 1ji8 n ASP 19 Ca 0.19 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.62 1ji8 n ASP 19 Cb 0.47 0.00 0.67 0.00 2.34 0.00 0.00 41.12 44.60 1ji8 n ASP 19 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1ji8 n GLU 20 N 0.00 0.96 -2.01 -0.67 2.13 -1.26 -3.51 120.64 116.29 1ji8 n GLU 20 Ca 0.00 -0.34 -0.12 0.00 0.66 0.00 0.00 57.16 57.36 1ji8 n GLU 20 Cb 0.00 -1.49 0.05 0.00 0.27 0.00 0.00 31.44 30.27 1ji8 n GLU 20 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1ji8 n ASP 21 N -0.73 3.38 -3.99 4.31 -0.08 -1.26 -4.81 116.55 113.38 1ji8 n ASP 21 Ca 0.17 -3.21 -0.26 0.00 -1.51 0.00 0.00 54.79 49.98 1ji8 n ASP 21 Cb 0.26 -0.40 -0.02 0.00 2.34 0.00 0.00 41.12 43.29 1ji8 n ASP 21 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ji8 s PHE 23 N -3.92 2.97 0.64 0.00 0.40 -1.26 -4.84 117.98 111.97 1ji8 s PHE 23 Ca 0.06 -1.88 0.27 0.00 -0.60 0.00 0.00 56.93 54.78 1ji8 s PHE 23 Cb -0.03 -1.93 1.45 0.00 0.51 0.00 0.00 43.02 43.02 1ji8 s PHE 23 CO 0.89 -0.83 1.83 0.00 0.70 0.00 0.00 175.22 177.82 1ji8 h MET 24 N 7.88 0.00 -3.79 0.44 -0.00 -1.92 -2.10 114.93 115.44 1ji8 h MET 24 Ca -0.36 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.10 1ji8 h MET 24 Cb 1.10 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.69 1ji8 h MET 24 CO 0.57 0.00 -0.31 1.04 -0.00 0.00 0.00 176.91 178.21 1ji8 n GLN 25 N -3.10 -2.21 -3.34 -0.10 6.02 -1.25 -2.55 117.38 110.85 1ji8 n GLN 25 Ca 0.01 0.60 -0.26 0.00 -0.01 0.00 0.00 57.00 57.34 1ji8 n GLN 25 Cb 0.53 -5.19 -0.09 0.00 1.02 0.00 0.00 30.24 26.51 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 -1.78 0.02 0.25 1.08 4.05 -1.26 -4.93 115.26 112.69 1ji8 n ASN 26 Ca -0.14 -2.56 0.14 0.00 0.45 0.00 0.00 54.58 52.47 1ji8 n ASN 26 Cb 0.61 -0.60 0.54 0.00 1.23 0.00 0.00 39.78 41.56 1ji8 n ASN 26 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1ji8 h PRO 27 N 4.97 0.00 -0.28 1.20 0.13 -1.89 -2.71 132.00 133.41 1ji8 h PRO 27 Ca 0.19 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.15 1ji8 h PRO 27 Cb 0.89 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 1ji8 h PRO 27 CO 0.43 0.09 -0.49 1.49 -0.23 0.00 0.00 178.00 179.29 1ji8 h GLU 28 N 0.00 0.76 -0.01 0.86 4.22 -1.93 -2.96 114.58 115.52 1ji8 h GLU 28 Ca -0.00 -0.45 0.00 0.00 0.08 0.00 0.00 59.36 58.99 1ji8 h GLU 28 Cb 0.66 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1ji8 h GLU 28 CO 0.01 1.07 -0.15 -0.25 -2.18 0.00 0.00 179.01 177.52 1ji8 n ASP 29 N -4.01 1.31 -4.69 1.04 9.92 -1.16 -4.90 116.55 114.06 1ji8 n ASP 29 Ca -0.03 -1.20 -0.42 0.00 -0.53 0.00 0.00 54.79 52.61 1ji8 n ASP 29 Cb 0.59 0.08 -0.03 0.00 -0.64 0.00 0.00 41.12 41.12 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 -2.28 2.30 0.00 1.24 -0.00 -1.03 -4.96 118.94 114.21 1ji8 s TRP 30 Ca 0.30 0.13 0.00 0.00 -0.00 0.00 0.00 56.10 56.53 1ji8 s TRP 30 Cb 0.20 -4.10 0.00 0.00 -0.00 0.00 0.00 33.47 29.57 1ji8 s TRP 30 CO 0.44 -4.47 0.00 -0.25 -0.00 0.00 0.00 176.95 172.66 1ji8 n ASP 31 N 5.50 0.27 0.14 5.86 9.92 -1.26 -5.01 116.55 131.97 1ji8 n ASP 31 Ca 0.17 -0.29 -0.06 0.00 -0.53 0.00 0.00 54.79 54.08 1ji8 n ASP 31 Cb 0.39 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.84 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 -0.39 -0.62 -1.24 4.81 -1.99 -2.27 114.58 112.88 1ji8 h GLU 32 Ca 0.00 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.38 1ji8 h GLU 32 Cb 0.00 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 29.36 1ji8 h GLU 32 CO 0.00 -0.26 -0.09 -0.22 -0.73 0.00 0.00 179.01 177.70 1ji8 h LYS 33 N -0.87 0.04 -0.01 1.92 3.64 -1.99 -1.02 116.57 118.28 1ji8 h LYS 33 Ca -0.04 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1ji8 h LYS 33 Cb 0.31 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1ji8 h LYS 33 CO 0.07 0.03 -0.14 0.28 -2.27 0.00 0.00 179.45 177.41 1ji8 h VAL 34 N 0.04 0.64 -0.97 2.00 2.07 -1.93 -1.16 116.25 116.94 1ji8 h VAL 34 Ca 0.31 0.00 0.23 0.00 0.82 0.00 0.00 66.70 68.05 1ji8 h VAL 34 Cb 0.49 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 1ji8 h VAL 34 CO -0.59 0.00 0.63 0.00 0.02 0.00 0.00 177.57 177.63 1ji8 h ALA 35 N 0.72 2.14 -0.13 1.67 0.00 -0.59 0.14 119.26 123.21 1ji8 h ALA 35 Ca 0.05 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 1ji8 h ALA 35 Cb 0.30 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ji8 h ALA 35 CO -0.15 -0.49 -0.69 0.93 0.00 0.00 0.00 179.25 178.85 1ji8 h GLU 36 N 0.46 0.55 -0.18 0.00 5.08 -0.49 -2.34 114.58 117.65 1ji8 h GLU 36 Ca 0.53 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1ji8 h GLU 36 Cb 1.26 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1ji8 h GLU 36 CO -0.25 1.04 0.12 2.35 -1.00 0.00 0.00 179.01 181.27 1ji8 h TRP 37 N 0.39 0.24 0.08 4.33 7.01 0.36 -1.23 115.95 127.11 1ji8 h TRP 37 Ca -0.03 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 1ji8 h TRP 37 Cb 1.27 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 28.26 1ji8 h TRP 37 CO 0.06 0.17 -0.04 -0.07 -2.79 0.00 0.00 178.44 175.77 1ji8 h LEU 38 N 0.23 -0.09 -2.01 0.65 3.38 -1.46 -2.07 115.31 113.95 1ji8 h LEU 38 Ca 0.07 -0.32 0.17 0.00 0.09 0.00 0.00 57.88 57.88 1ji8 h LEU 38 Cb 0.00 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1ji8 h LEU 38 CO -0.01 0.28 0.44 0.00 0.09 0.00 0.00 178.44 179.24 1ji8 h ALA 39 N 0.41 2.49 0.14 1.53 0.00 -1.36 -1.81 119.26 120.65 1ji8 h ALA 39 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ji8 h ALA 39 Cb 0.40 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ji8 h ALA 39 CO 0.02 -0.73 -0.07 -0.09 0.00 0.00 0.00 179.25 178.38 1ji8 h ARG 40 N 0.00 -0.18 -1.14 0.00 2.43 -0.98 -0.97 114.38 113.54 1ji8 h ARG 40 Ca 0.27 0.01 0.32 0.00 -0.81 0.00 0.00 59.98 59.78 1ji8 h ARG 40 Cb 1.15 0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 30.64 1ji8 h ARG 40 CO -0.00 -0.12 0.75 1.49 -1.51 0.00 0.00 179.97 180.58 1ji8 h GLU 41 N -0.97 0.25 0.00 0.20 4.57 -1.06 1.57 114.58 119.13 1ji8 h GLU 41 Ca -0.02 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1ji8 h GLU 41 Cb 0.14 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1ji8 h GLU 41 CO 0.03 0.16 -0.00 -0.07 -1.18 0.00 0.00 179.01 177.95 1ji8 h LEU 42 N 0.25 0.00 0.03 1.64 4.07 -1.41 -3.42 115.31 116.47 1ji8 h LEU 42 Ca 0.65 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 58.35 1ji8 h LEU 42 Cb 1.92 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.63 1ji8 h LEU 42 CO -0.29 0.17 -1.43 -0.08 -1.08 0.00 0.00 178.44 175.74 1ji8 h GLU 43 N -0.35 0.07 0.00 1.13 4.22 -0.89 -3.49 114.58 115.27 1ji8 h GLU 43 Ca 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 59.33 1ji8 h GLU 43 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1ji8 h GLU 43 CO 0.00 1.05 0.00 0.41 -2.18 0.00 0.00 179.01 178.29 1ji8 n GLY 44 N 1.56 1.67 3.54 1.92 0.00 0.53 -4.97 105.19 109.45 1ji8 n GLY 44 Ca -0.32 0.00 -0.20 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 -0.05 -0.01 -0.16 -0.61 5.41 -1.23 -4.73 119.36 117.97 1ji8 n ILE 45 Ca 0.00 -0.52 0.07 0.00 1.00 0.00 0.00 62.75 63.30 1ji8 n ILE 45 Cb 0.00 -1.64 0.38 0.00 -0.71 0.00 0.00 39.64 37.66 1ji8 n ILE 45 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1ji8 h GLN 46 N 13.47 0.67 -4.43 0.38 7.50 -1.93 -3.40 115.11 127.36 1ji8 h GLN 46 Ca -0.03 -0.04 -0.29 0.00 0.50 0.00 0.00 58.65 58.79 1ji8 h GLN 46 Cb 1.09 -0.15 -0.24 0.00 0.05 0.00 0.00 27.48 28.23 1ji8 h GLN 46 CO 1.18 0.45 -0.74 -1.59 -1.50 0.00 0.00 178.83 176.62 1ji8 s LYS 47 N -5.62 0.47 0.04 1.46 -2.85 -1.26 -5.09 119.74 106.89 1ji8 s LYS 47 Ca -0.09 -0.53 -0.25 0.00 -1.00 0.00 0.00 55.97 54.10 1ji8 s LYS 47 Cb 0.19 -0.32 -0.06 0.00 -2.06 0.00 0.00 37.83 35.59 1ji8 s LYS 47 CO 0.77 0.07 0.75 -1.64 0.10 0.00 0.00 175.35 175.40 1ji8 s MET 48 N -1.00 4.48 0.67 1.78 -1.94 -1.26 -5.07 119.30 116.96 1ji8 s MET 48 Ca -0.06 1.04 0.01 0.00 -1.71 0.00 0.00 55.69 54.97 1ji8 s MET 48 Cb -0.07 -3.36 0.13 0.00 2.01 0.00 0.00 34.83 33.54 1ji8 s MET 48 CO 0.00 0.30 0.92 0.25 -0.01 0.00 0.00 175.02 176.48 1ji8 n THR 49 N 2.77 0.00 0.20 2.05 -2.24 -1.26 -4.98 114.28 110.81 1ji8 n THR 49 Ca -0.03 -1.52 0.09 0.00 -2.27 0.00 0.00 64.05 60.32 1ji8 n THR 49 Cb 0.50 -0.88 0.15 0.00 -2.10 0.00 0.00 70.33 68.01 1ji8 n THR 49 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ji8 h GLU 50 N 0.00 0.00 0.05 -0.78 4.81 -2.00 -3.14 114.58 113.52 1ji8 h GLU 50 Ca -0.30 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.68 1ji8 h GLU 50 Cb 1.15 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.54 1ji8 h GLU 50 CO 0.34 0.17 -1.05 0.93 -0.73 0.00 0.00 179.01 178.66 1ji8 h GLU 51 N 0.00 0.42 0.22 1.92 5.08 -1.99 -2.78 114.58 117.44 1ji8 h GLU 51 Ca -0.00 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1ji8 h GLU 51 Cb 1.10 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1ji8 h GLU 51 CO 0.02 1.17 -0.10 0.45 -1.00 0.00 0.00 179.01 179.55 1ji8 h HIS 52 N 0.21 -0.27 -0.48 4.33 3.86 -1.95 -2.46 115.15 118.38 1ji8 h HIS 52 Ca -0.11 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.16 1ji8 h HIS 52 Cb 1.71 0.09 -0.03 0.00 1.06 0.00 0.00 27.41 30.24 1ji8 h HIS 52 CO 0.07 0.12 0.32 -1.49 0.86 0.00 0.00 177.93 177.81 1ji8 h TRP 53 N -0.85 0.39 0.59 2.45 -0.00 -1.68 -2.14 115.95 114.72 1ji8 h TRP 53 Ca -0.03 0.01 -0.03 0.00 -0.00 0.00 0.00 58.89 58.84 1ji8 h TRP 53 Cb 0.51 -0.13 0.01 0.00 -0.00 0.00 0.00 29.16 29.55 1ji8 h TRP 53 CO 0.06 0.21 -0.28 -0.22 -0.00 0.00 0.00 178.44 178.21 1ji8 h LYS 54 N 0.39 -0.76 -0.98 0.49 3.64 -1.48 -1.62 116.57 116.24 1ji8 h LYS 54 Ca 0.21 0.05 0.23 0.00 -1.27 0.00 0.00 60.65 59.88 1ji8 h LYS 54 Cb 0.34 0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 32.25 1ji8 h LYS 54 CO -0.05 -0.47 0.64 1.25 -2.27 0.00 0.00 179.45 178.54 1ji8 h LEU 55 N -1.16 0.44 -0.37 5.20 5.85 -1.22 0.98 115.31 125.04 1ji8 h LEU 55 Ca -0.08 0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.54 1ji8 h LEU 55 Cb 0.64 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1ji8 h LEU 55 CO 0.13 0.14 -0.38 0.58 -0.34 0.00 0.00 178.44 178.57 1ji8 h VAL 56 N 0.42 1.27 -0.44 1.05 2.07 -1.29 -2.00 116.25 117.32 1ji8 h VAL 56 Ca 0.53 -1.56 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 1ji8 h VAL 56 Cb 1.33 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 1ji8 h VAL 56 CO -0.24 0.52 0.12 0.50 0.02 0.00 0.00 177.57 178.49 1ji8 h LYS 57 N 0.72 0.66 -0.03 1.57 3.64 0.18 -2.64 116.57 120.67 1ji8 h LYS 57 Ca 0.06 -0.11 -0.23 0.00 -1.27 0.00 0.00 60.65 59.10 1ji8 h LYS 57 Cb 0.98 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1ji8 h LYS 57 CO 0.09 0.60 -0.90 1.88 -2.27 0.00 0.00 179.45 178.85 1ji8 h TYR 58 N 0.64 0.73 0.00 1.91 0.05 -1.26 -3.14 116.97 115.91 1ji8 h TYR 58 Ca 0.15 -0.38 -0.00 0.00 0.05 0.00 0.00 58.73 58.55 1ji8 h TYR 58 Cb 0.23 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 37.88 1ji8 h TYR 58 CO 0.01 1.19 -0.01 1.25 -1.05 0.00 0.00 178.16 179.55 1ji8 h LEU 59 N 0.30 0.00 0.72 3.88 5.85 -1.01 -2.94 115.31 122.12 1ji8 h LEU 59 Ca -0.08 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1ji8 h LEU 59 Cb 1.53 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.57 1ji8 h LEU 59 CO 0.16 0.01 -0.35 -0.09 -0.34 0.00 0.00 178.44 177.84 1ji8 h ARG 60 N 0.00 -0.94 -0.86 1.25 2.43 -1.45 -1.97 114.38 112.85 1ji8 h ARG 60 Ca -0.00 0.06 0.22 0.00 -0.81 0.00 0.00 59.98 59.45 1ji8 h ARG 60 Cb 0.02 0.21 -0.15 0.00 -0.42 0.00 0.00 29.97 29.63 1ji8 h ARG 60 CO 0.00 -0.61 0.12 1.49 -1.51 0.00 0.00 179.97 179.46 1ji8 h GLU 61 N -1.24 0.13 -0.47 0.20 4.81 -1.59 0.28 114.58 116.70 1ji8 h GLU 61 Ca -0.10 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1ji8 h GLU 61 Cb 0.75 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 1ji8 h GLU 61 CO 0.16 0.09 0.25 -0.92 -0.73 0.00 0.00 179.01 177.86 1ji8 h TYR 62 N 0.13 0.65 0.00 0.92 5.03 -1.47 -1.34 116.97 120.90 1ji8 h TYR 62 Ca 0.51 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.80 1ji8 h TYR 62 Cb 1.00 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 39.08 1ji8 h TYR 62 CO -0.36 0.49 0.00 1.87 -1.32 0.00 0.00 178.16 178.84 1ji8 n TRP 63 N -4.67 0.76 -0.08 -3.82 -0.00 0.81 -3.05 117.44 107.39 1ji8 n TRP 63 Ca 0.01 0.32 -0.17 0.00 -0.00 0.00 0.00 57.50 57.66 1ji8 n TRP 63 Cb 0.09 -1.01 -0.12 0.00 -0.00 0.00 0.00 31.31 30.26 1ji8 n TRP 63 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 1ji8 h GLU 64 N 0.00 0.01 -0.73 5.87 4.57 0.07 -3.17 114.58 121.19 1ji8 h GLU 64 Ca 0.00 -0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.32 1ji8 h GLU 64 Cb 0.29 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 28.75 1ji8 h GLU 64 CO 0.00 1.01 -0.11 1.79 -1.18 0.00 0.00 179.01 180.52 1ji8 h THR 65 N -0.98 0.30 0.00 0.32 1.35 -1.34 -3.41 112.91 109.15 1ji8 h THR 65 Ca -0.15 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1ji8 h THR 65 Cb 1.15 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1ji8 h THR 65 CO -0.08 0.01 0.00 0.49 -0.25 0.00 0.00 175.52 175.68 1ji8 n PHE 66 N -5.43 0.00 0.00 4.73 3.72 -1.23 -5.13 117.46 114.12 1ji8 n PHE 66 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1ji8 n PHE 66 Cb 0.41 0.28 0.00 0.00 -0.94 0.00 0.00 39.48 39.23 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 1.98 0.26 3.77 1.37 0.00 -1.20 -5.00 105.19 106.38 1ji8 n GLY 67 Ca 0.00 0.29 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.00 -0.42 2.61 2.01 -1.26 -5.03 115.64 113.55 1ji8 s THR 68 Ca 0.00 -1.10 0.09 0.00 0.31 0.00 0.00 61.69 60.99 1ji8 s THR 68 Cb 0.00 -2.49 0.35 0.00 0.01 0.00 0.00 72.50 70.37 1ji8 s THR 68 CO 0.00 0.00 1.05 0.00 -0.69 0.00 0.00 174.62 174.98 1ji8 s PRO 70 N -0.66 0.49 0.99 0.00 0.04 -1.26 -4.49 135.00 130.11 1ji8 s PRO 70 Ca 0.27 0.24 -0.14 0.00 0.04 0.00 0.00 61.00 61.41 1ji8 s PRO 70 Cb 0.34 -1.77 0.19 0.00 0.04 0.00 0.00 34.50 33.29 1ji8 s PRO 70 CO -0.06 -2.63 1.13 -1.25 0.04 0.00 0.00 177.00 174.24 1ji8 s PRO 71 N -5.25 0.45 0.24 0.56 0.04 -1.26 -4.08 135.00 125.70 1ji8 s PRO 71 Ca 0.66 0.26 -0.30 0.00 0.04 0.00 0.00 61.00 61.66 1ji8 s PRO 71 Cb -0.14 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 1ji8 s PRO 71 CO 0.55 -2.66 1.34 -1.50 0.04 0.00 0.00 177.00 174.77 1ji8 s ILE 72 N -3.17 2.97 0.03 0.56 1.10 -1.26 -4.66 121.20 116.77 1ji8 s ILE 72 Ca 0.66 0.84 0.00 0.00 -0.51 0.00 0.00 60.65 61.64 1ji8 s ILE 72 Cb -0.15 -3.54 0.00 0.00 0.15 0.00 0.00 42.46 38.93 1ji8 s ILE 72 CO 0.55 0.15 0.00 1.17 -2.11 0.00 0.00 174.94 174.70 1ji8 n LYS 73 N 2.12 0.00 0.09 3.50 3.00 -1.26 -4.95 118.16 120.66 1ji8 n LYS 73 Ca 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.34 1ji8 n LYS 73 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.40 1ji8 n LYS 73 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 1ji8 h MET 74 N 0.00 0.00 0.00 1.64 4.05 -2.00 -3.27 114.93 115.35 1ji8 h MET 74 Ca 0.00 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.29 1ji8 h MET 74 Cb 0.00 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 1ji8 h MET 74 CO 0.00 0.66 -0.64 0.28 0.23 0.00 0.00 176.91 177.44 1ji8 h VAL 75 N 0.00 1.21 -0.95 -5.77 2.07 -1.92 -3.23 116.25 107.66 1ji8 h VAL 75 Ca -0.04 -2.41 0.12 0.00 0.82 0.00 0.00 66.70 65.19 1ji8 h VAL 75 Cb 1.58 2.40 -0.08 0.00 -1.52 0.00 0.00 31.29 33.67 1ji8 h VAL 75 CO 0.09 0.63 0.60 0.74 0.02 0.00 0.00 177.57 179.65 1ji8 h THR 76 N 0.00 0.92 -1.05 2.57 2.02 -1.93 -0.69 112.91 114.76 1ji8 h THR 76 Ca -0.01 -0.31 0.27 0.00 0.77 0.00 0.00 66.41 67.13 1ji8 h THR 76 Cb 1.35 -0.06 -0.10 0.00 -1.74 0.00 0.00 68.15 67.59 1ji8 h THR 76 CO 0.08 0.16 0.66 0.11 0.37 0.00 0.00 175.52 176.91 1ji8 h LYS 77 N 0.90 0.40 0.04 6.66 6.56 -1.72 0.54 116.57 129.95 1ji8 h LYS 77 Ca 0.46 -0.02 -0.30 0.00 -1.06 0.00 0.00 60.65 59.73 1ji8 h LYS 77 Cb 0.51 -0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 32.05 1ji8 h LYS 77 CO -0.22 0.26 -1.64 0.93 -2.06 0.00 0.00 179.45 176.72 1ji8 h GLU 78 N 0.41 0.09 0.00 3.15 4.39 -1.36 -3.43 114.58 117.82 1ji8 h GLU 78 Ca 0.61 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 60.16 1ji8 h GLU 78 Cb 1.51 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.22 1ji8 h GLU 78 CO -0.33 0.78 0.00 0.25 -1.16 0.00 0.00 179.01 178.55 1ji8 n THR 79 N -3.22 0.00 0.00 1.13 -2.24 -0.00 -5.06 114.28 104.88 1ji8 n THR 79 Ca -0.17 0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1ji8 n THR 79 Cb 1.04 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 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 2.03 1.31 3.42 3.38 0.00 0.17 -5.02 105.19 110.47 1ji8 n GLY 80 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 3.38 0.21 1.61 0.40 -1.26 -5.01 117.98 115.31 1ji8 s PHE 81 Ca 0.00 -1.70 -0.31 0.00 -0.60 0.00 0.00 56.93 54.32 1ji8 s PHE 81 Cb 0.00 -4.15 -0.15 0.00 0.51 0.00 0.00 43.02 39.23 1ji8 s PHE 81 CO 0.00 -1.33 1.13 0.43 0.70 0.00 0.00 175.22 176.16 1ji8 n SER 82 N 5.61 1.41 -0.48 1.36 7.64 -1.26 -4.68 113.62 123.22 1ji8 n SER 82 Ca 0.23 1.15 0.41 0.00 1.01 0.00 0.00 58.87 61.67 1ji8 n SER 82 Cb 0.47 -1.25 0.73 0.00 -1.01 0.00 0.00 64.21 63.16 1ji8 n SER 82 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1ji8 h LEU 83 N 3.03 0.09 -0.01 -3.43 4.07 -1.95 0.97 115.31 118.08 1ji8 h LEU 83 Ca -0.42 0.04 0.03 0.00 0.08 0.00 0.00 57.88 57.61 1ji8 h LEU 83 Cb 1.34 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 43.06 1ji8 h LEU 83 CO 0.68 -0.03 -0.24 -0.33 -1.08 0.00 0.00 178.44 177.43 1ji8 h GLU 84 N 0.05 -0.36 -0.14 1.13 5.08 -2.00 -0.99 114.58 117.36 1ji8 h GLU 84 Ca 0.75 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 59.14 1ji8 h GLU 84 Cb 2.78 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 32.10 1ji8 h GLU 84 CO -0.13 -0.24 0.08 -0.22 -1.00 0.00 0.00 179.01 177.51 1ji8 h LYS 85 N -0.37 0.19 -0.62 2.33 3.64 -1.12 -1.77 116.57 118.84 1ji8 h LYS 85 Ca 0.07 -0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.61 1ji8 h LYS 85 Cb 0.46 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1ji8 h LYS 85 CO -0.23 0.17 0.47 0.82 -2.27 0.00 0.00 179.45 178.42 1ji8 h ILE 86 N 0.15 0.63 0.03 2.00 2.04 -1.30 -1.10 117.51 119.96 1ji8 h ILE 86 Ca 0.05 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.77 1ji8 h ILE 86 Cb 0.04 0.67 0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1ji8 h ILE 86 CO -0.01 0.00 -0.56 1.88 0.00 0.00 0.00 178.15 179.46 1ji8 h TYR 87 N 0.00 0.50 -0.42 1.37 -1.99 -0.35 -0.77 116.97 115.31 1ji8 h TYR 87 Ca 0.30 -0.30 0.03 0.00 2.00 0.00 0.00 58.73 60.76 1ji8 h TYR 87 Cb 1.23 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.89 1ji8 h TYR 87 CO 0.00 1.14 0.28 1.96 -0.00 0.00 0.00 178.16 181.54 1ji8 h GLN 88 N -0.29 0.45 0.00 4.88 4.20 -0.61 -3.26 115.11 120.48 1ji8 h GLN 88 Ca -0.08 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1ji8 h GLN 88 Cb 1.32 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1ji8 h GLN 88 CO 0.11 0.30 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.32 1ji8 h LEU 89 N 0.47 0.00 -8.32 1.46 3.38 -1.41 -3.44 115.31 107.44 1ji8 h LEU 89 Ca 0.17 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.41 1ji8 h LEU 89 Cb 0.09 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.61 1ji8 h LEU 89 CO -0.04 0.40 -0.38 0.12 0.09 0.00 0.00 178.44 178.62 1ji8 s PHE 90 N -1.58 3.26 0.12 1.13 2.19 -0.30 -4.92 117.98 117.88 1ji8 s PHE 90 Ca -0.05 -0.95 -0.09 0.00 0.33 0.00 0.00 56.93 56.17 1ji8 s PHE 90 Cb 0.01 -2.97 -0.09 0.00 -1.31 0.00 0.00 43.02 38.66 1ji8 s PHE 90 CO 0.08 -0.75 1.33 -1.00 1.83 0.00 0.00 175.22 176.71 1ji8 h PRO 91 N 8.66 0.64 -0.94 10.12 0.13 -1.79 -3.14 132.00 145.68 1ji8 h PRO 91 Ca -0.27 -0.55 0.27 0.00 -0.87 0.00 0.00 66.00 64.58 1ji8 h PRO 91 Cb 1.11 0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1ji8 h PRO 91 CO 0.82 1.17 0.74 1.03 -0.23 0.00 0.00 178.00 181.52 1ji8 h SER 92 N 0.43 0.00 -5.00 1.44 0.87 -1.91 -3.47 113.55 105.91 1ji8 h SER 92 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1ji8 h SER 92 Cb 1.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 1ji8 h SER 92 CO 0.15 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.06 1ji8 n GLY 93 N -1.70 2.57 0.12 5.77 0.00 -1.19 -4.75 105.19 106.02 1ji8 n GLY 93 Ca 0.20 -1.77 -0.01 0.00 0.00 0.00 0.00 46.02 44.44 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 1.04 -0.72 0.00 1.61 -0.04 -1.26 -2.11 135.00 133.51 1ji8 n PRO 94 Ca 0.00 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1ji8 n PRO 94 Cb 0.00 -0.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.41 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 -3.05 0.00 0.07 0.55 0.00 -1.26 -3.07 120.51 113.75 1ji8 n ALA 95 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 1ji8 n ALA 95 Cb 0.02 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.49 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 0.44 0.34 0.00 3.86 -1.79 -2.40 115.15 115.61 1ji8 h HIS 96 Ca 0.00 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 58.99 1ji8 h HIS 96 Cb 0.00 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1ji8 h HIS 96 CO 0.00 0.97 -0.17 0.78 0.86 0.00 0.00 177.93 180.37 1ji8 h GLY 97 N 1.47 -0.48 0.44 2.45 0.00 -1.35 -1.85 103.07 103.75 1ji8 h GLY 97 Ca -0.04 0.18 0.09 0.00 0.00 0.00 0.00 47.33 47.56 1ji8 h GLY 97 CO 0.13 -0.18 0.29 0.00 0.00 0.00 0.00 176.54 176.78 1ji8 h ALA 98 N -0.94 0.87 0.10 3.60 0.00 -1.68 -2.30 119.26 118.91 1ji8 h ALA 98 Ca -0.05 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ji8 h ALA 98 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ji8 h ALA 98 CO 0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 179.25 179.16 1ji8 h LYS 100 N -0.20 -0.01 -0.42 0.00 1.57 -0.80 0.12 116.57 116.83 1ji8 h LYS 100 Ca -0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1ji8 h LYS 100 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1ji8 h LYS 100 CO 0.02 -0.00 0.04 0.28 -0.57 0.00 0.00 179.45 179.21 1ji8 h VAL 101 N -0.01 1.21 0.00 0.50 2.07 -1.24 -2.18 116.25 116.61 1ji8 h VAL 101 Ca 0.27 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 1ji8 h VAL 101 Cb 0.41 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1ji8 h VAL 101 CO -0.57 0.30 -0.18 0.00 0.02 0.00 0.00 177.57 177.13 1ji8 h ALA 102 N 1.41 1.46 -0.89 1.67 0.00 0.33 -3.46 119.26 119.79 1ji8 h ALA 102 Ca 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ji8 h ALA 102 Cb 0.34 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ji8 h ALA 102 CO 0.01 0.23 -0.04 0.41 0.00 0.00 0.00 179.25 179.86 1ji8 n GLY 103 N -0.78 0.66 3.69 0.00 0.00 -0.51 -5.02 105.19 103.24 1ji8 n GLY 103 Ca -0.02 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.66 3.48 0.09 4.61 0.00 -1.24 -4.64 121.76 121.41 1ji8 s ALA 104 Ca 0.02 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.48 1ji8 s ALA 104 Cb -0.01 -2.83 -0.06 0.00 0.00 0.00 0.00 23.12 20.22 1ji8 s ALA 104 CO 0.03 -0.27 1.20 -1.25 0.00 0.00 0.00 175.76 175.47 1ji8 s PRO 105 N 1.24 4.45 -0.29 0.00 0.04 -1.26 -4.92 135.00 134.26 1ji8 s PRO 105 Ca 0.28 1.80 -0.03 0.00 0.04 0.00 0.00 61.00 63.10 1ji8 s PRO 105 Cb -0.16 -3.32 0.04 0.00 0.04 0.00 0.00 34.50 31.10 1ji8 s PRO 105 CO 0.11 -0.21 0.00 0.21 0.04 0.00 0.00 177.00 177.16 1ji8 s LYS 106 N 0.73 2.61 -1.03 4.56 2.20 -1.26 -5.03 119.74 122.51 1ji8 s LYS 106 Ca 0.57 -1.15 -0.23 0.00 -0.36 0.00 0.00 55.97 54.80 1ji8 s LYS 106 Cb -0.30 -3.18 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 1ji8 s LYS 106 CO 0.31 -0.55 1.82 -1.25 -0.36 0.00 0.00 175.35 175.32 1ji8 s PRO 107 N 1.31 2.89 -0.13 4.03 0.04 -1.26 -4.93 135.00 136.95 1ji8 s PRO 107 Ca -0.03 -0.84 -0.33 0.00 0.04 0.00 0.00 61.00 59.84 1ji8 s PRO 107 Cb -0.19 -5.21 -0.11 0.00 0.04 0.00 0.00 34.50 29.03 1ji8 s PRO 107 CO -0.01 -3.18 1.97 -2.37 0.04 0.00 0.00 177.00 173.45 1ji8 n THR 108 N 7.52 0.53 -1.83 1.26 5.66 -1.26 -4.82 114.28 121.33 1ji8 n THR 108 Ca 0.41 -0.17 -0.31 0.00 -3.05 0.00 0.00 64.05 60.93 1ji8 n THR 108 Cb 0.48 -1.98 -0.04 0.00 -1.55 0.00 0.00 70.33 67.23 1ji8 n THR 108 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1ji8 s GLY 109 N 5.04 -0.16 1.12 1.09 0.00 -1.26 -4.94 107.32 108.21 1ji8 s GLY 109 Ca 0.95 -0.70 -0.16 0.00 0.00 0.00 0.00 44.72 44.81 1ji8 s GLY 109 CO 0.49 3.77 0.57 0.00 0.00 0.00 0.00 173.10 177.93