#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ru9 s VAL 2 N 0.00 3.97 -0.07 1.55 0.11 -1.26 -4.49 120.40 120.21 1ru9 s VAL 2 Ca 0.00 1.47 0.03 0.00 -2.93 0.00 0.00 61.98 60.55 1ru9 s VAL 2 Cb 0.00 -3.94 0.01 0.00 -1.53 0.00 0.00 36.38 30.92 1ru9 s VAL 2 CO 0.00 0.15 -0.14 -1.10 -3.33 0.00 0.00 175.10 170.68 1ru9 s GLN 3 N 0.70 1.85 0.11 1.54 -0.21 -0.17 -4.95 119.66 118.53 1ru9 s GLN 3 Ca 0.57 -0.49 0.07 0.00 0.02 0.00 0.00 55.36 55.53 1ru9 s GLN 3 Cb -0.30 -1.51 -0.04 0.00 1.00 0.00 0.00 33.01 32.16 1ru9 s GLN 3 CO 0.31 0.07 -0.08 -0.51 -2.12 0.00 0.00 175.29 172.95 1ru9 s LEU 4 N 0.54 3.10 0.30 2.90 1.02 -1.26 -1.33 118.68 123.95 1ru9 s LEU 4 Ca -0.14 -0.37 -0.11 0.00 0.02 0.00 0.00 54.13 53.53 1ru9 s LEU 4 Cb -0.15 -1.88 0.01 0.00 0.02 0.00 0.00 46.19 44.19 1ru9 s LEU 4 CO 0.04 0.17 0.54 -1.58 0.02 0.00 0.00 176.35 175.54 1ru9 s GLN 5 N -2.27 1.77 0.00 1.70 0.74 -0.85 -4.18 119.66 116.57 1ru9 s GLN 5 Ca 0.22 -1.40 0.00 0.00 0.05 0.00 0.00 55.36 54.23 1ru9 s GLN 5 Cb -0.11 0.50 0.00 0.00 1.10 0.00 0.00 33.01 34.50 1ru9 s GLN 5 CO 0.15 -0.76 0.00 -1.13 -0.55 0.00 0.00 175.29 173.00 1ru9 n SER 7 N -0.82 0.00 0.00 6.67 3.41 -0.79 -1.47 113.62 120.62 1ru9 n SER 7 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1ru9 n SER 7 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1ru9 n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ru9 n GLY 8 N -1.26 3.51 3.66 5.00 0.00 -1.26 -1.05 105.19 113.79 1ru9 n GLY 8 Ca 0.00 -1.31 -0.45 0.00 0.00 0.00 0.00 46.02 44.26 1ru9 n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ru9 n PRO 9 N -1.57 1.98 0.04 1.61 -0.02 -1.26 -4.89 135.00 130.90 1ru9 n PRO 9 Ca 0.00 0.71 0.12 0.00 -2.02 0.00 0.00 63.50 62.30 1ru9 n PRO 9 Cb 0.00 -2.36 0.09 0.00 -0.02 0.00 0.00 33.50 31.21 1ru9 n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ru9 n GLY 10 N 2.21 -1.30 3.19 -1.23 0.00 -1.26 -4.85 105.19 101.95 1ru9 n GLY 10 Ca 0.12 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 1ru9 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ru9 s LEU 11 N -4.05 1.98 0.00 0.99 2.96 -1.26 -0.15 118.68 119.15 1ru9 s LEU 11 Ca 0.05 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 1ru9 s LEU 11 Cb 0.14 -1.11 -0.00 0.00 0.50 0.00 0.00 46.19 45.71 1ru9 s LEU 11 CO 0.76 0.20 -0.01 -0.69 -1.32 0.00 0.00 176.35 175.29 1ru9 s VAL 12 N -0.10 0.03 0.34 1.68 1.01 -0.28 -4.96 120.40 118.13 1ru9 s VAL 12 Ca -0.02 -0.22 -0.26 0.00 0.00 0.00 0.00 61.98 61.48 1ru9 s VAL 12 Cb -0.12 -0.08 -0.10 0.00 0.00 0.00 0.00 36.38 36.09 1ru9 s VAL 12 CO 0.02 -0.12 0.96 -0.54 0.00 0.00 0.00 175.10 175.43 1ru9 s LYS 13 N -0.35 4.52 0.61 2.72 -0.14 -1.26 -1.44 119.74 124.39 1ru9 s LYS 13 Ca -0.04 1.36 -0.18 0.00 -1.36 0.00 0.00 55.97 55.75 1ru9 s LYS 13 Cb -0.02 -2.75 -0.05 0.00 -1.68 0.00 0.00 37.83 33.33 1ru9 s LYS 13 CO -0.00 0.21 0.88 -2.30 -0.76 0.00 0.00 175.35 173.38 1ru9 n PRO 14 N 0.44 0.78 -0.75 -1.68 -0.02 -1.26 -1.76 135.00 130.74 1ru9 n PRO 14 Ca 0.02 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1ru9 n PRO 14 Cb 0.50 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1ru9 n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1ru9 n SER 15 N -0.66 -0.71 -0.44 2.55 3.41 0.13 -4.93 113.62 112.97 1ru9 n SER 15 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1ru9 n SER 15 Cb 0.48 -1.61 0.00 0.00 -0.26 0.00 0.00 64.21 62.82 1ru9 n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ru9 n GLN 16 N -1.79 3.24 -4.44 4.33 1.13 -0.73 -4.13 117.38 114.99 1ru9 n GLN 16 Ca 0.00 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.79 1ru9 n GLN 16 Cb 0.04 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.26 1ru9 n GLN 16 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1ru9 s SER 17 N -1.00 2.86 -0.10 1.08 0.01 -1.26 -1.73 113.70 113.56 1ru9 s SER 17 Ca 0.00 -0.67 -0.10 0.00 1.31 0.00 0.00 55.95 56.48 1ru9 s SER 17 Cb 0.00 -0.19 -0.05 0.00 0.21 0.00 0.00 66.02 65.99 1ru9 s SER 17 CO 0.00 0.14 0.24 -0.22 0.41 0.00 0.00 173.24 173.80 1ru9 s LEU 18 N -1.78 4.37 -0.22 2.44 0.20 0.72 -4.91 118.68 119.51 1ru9 s LEU 18 Ca 0.10 0.59 -0.04 0.00 0.69 0.00 0.00 54.13 55.46 1ru9 s LEU 18 Cb -0.10 -2.26 0.07 0.00 -0.43 0.00 0.00 46.19 43.47 1ru9 s LEU 18 CO 0.04 0.31 0.09 -0.55 -0.29 0.00 0.00 176.35 175.95 1ru9 s SER 19 N -0.66 2.90 0.18 3.68 0.15 -1.26 -1.51 113.70 117.18 1ru9 s SER 19 Ca 0.17 -0.91 0.09 0.00 0.70 0.00 0.00 55.95 56.00 1ru9 s SER 19 Cb -0.13 -0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 63.74 1ru9 s SER 19 CO 0.06 -0.37 -0.11 -0.76 1.20 0.00 0.00 173.24 173.26 1ru9 s LEU 20 N 2.02 2.93 0.04 3.45 1.43 0.00 -4.18 118.68 124.38 1ru9 s LEU 20 Ca 0.04 -0.59 0.07 0.00 -1.03 0.00 0.00 54.13 52.62 1ru9 s LEU 20 Cb -0.16 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 1ru9 s LEU 20 CO -0.17 0.11 -0.20 -0.89 0.23 0.00 0.00 176.35 175.43 1ru9 s THR 21 N -1.66 1.63 -0.17 5.49 2.01 -0.21 -1.23 115.64 121.51 1ru9 s THR 21 Ca 0.24 -1.15 -0.00 0.00 0.31 0.00 0.00 61.69 61.09 1ru9 s THR 21 Cb -0.09 -1.41 0.04 0.00 0.01 0.00 0.00 72.50 71.05 1ru9 s THR 21 CO 0.15 0.22 -0.07 0.00 -0.69 0.00 0.00 174.62 174.23 1ru9 s THR 23 N 1.59 5.33 -0.16 0.00 2.01 -0.54 -1.95 115.64 121.92 1ru9 s THR 23 Ca 0.01 0.40 -0.05 0.00 0.31 0.00 0.00 61.69 62.36 1ru9 s THR 23 Cb -0.15 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1ru9 s THR 23 CO -0.08 0.37 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.53 1ru9 s VAL 24 N 0.67 4.24 0.04 3.82 1.01 -1.00 -2.01 120.40 127.18 1ru9 s VAL 24 Ca 0.13 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 61.94 1ru9 s VAL 24 Cb -0.13 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 1ru9 s VAL 24 CO 0.03 0.50 -0.19 0.42 0.00 0.00 0.00 175.10 175.85 1ru9 s THR 25 N 0.22 1.54 0.00 3.92 -4.23 -0.44 -4.75 115.64 111.90 1ru9 s THR 25 Ca 0.00 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 1ru9 s THR 25 Cb -0.13 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.36 1ru9 s THR 25 CO 0.02 0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 1ru9 n GLY 26 N 1.85 0.60 3.65 3.99 0.00 -1.26 -0.99 105.19 113.02 1ru9 n GLY 26 Ca -0.17 -0.40 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 1ru9 n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ru9 s TYR 27 N -2.00 -0.08 0.16 1.61 6.14 -1.26 -4.23 117.35 117.68 1ru9 s TYR 27 Ca 0.00 0.21 -0.30 0.00 0.64 0.00 0.00 57.07 57.62 1ru9 s TYR 27 Cb 0.00 0.48 -0.07 0.00 0.42 0.00 0.00 41.96 42.79 1ru9 s TYR 27 CO 0.00 -0.04 0.94 0.45 0.64 0.00 0.00 175.55 177.54 1ru9 s SER 28 N 0.03 7.54 0.00 4.32 0.15 -1.26 -4.93 113.70 119.55 1ru9 s SER 28 Ca 0.07 1.83 0.18 0.00 0.70 0.00 0.00 55.95 58.74 1ru9 s SER 28 Cb -0.05 -2.59 0.83 0.00 -1.71 0.00 0.00 66.02 62.50 1ru9 s SER 28 CO -0.15 0.03 1.59 2.30 1.20 0.00 0.00 173.24 178.20 1ru9 n ILE 29 N 2.29 0.66 -0.38 6.45 -5.35 -1.26 -2.22 119.36 119.54 1ru9 n ILE 29 Ca 0.00 0.16 0.05 0.00 -0.27 0.00 0.00 62.75 62.70 1ru9 n ILE 29 Cb 0.48 -0.85 0.30 0.00 -1.74 0.00 0.00 39.64 37.83 1ru9 n ILE 29 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1ru9 n THR 30 N -1.44 2.01 -4.32 7.28 -2.24 -1.26 -4.14 114.28 110.16 1ru9 n THR 30 Ca 0.06 -1.02 -0.19 0.00 -2.27 0.00 0.00 64.05 60.62 1ru9 n THR 30 Cb 0.20 -0.32 -0.15 0.00 -2.10 0.00 0.00 70.33 67.95 1ru9 n THR 30 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ru9 s SER 31 N -0.58 1.03 0.00 3.42 0.01 -0.94 -4.76 113.70 111.88 1ru9 s SER 31 Ca 0.40 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.50 1ru9 s SER 31 Cb 0.30 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1ru9 s SER 31 CO 0.12 0.07 0.00 0.47 0.41 0.00 0.00 173.24 174.31 1ru9 n ASP 32 N 3.16 0.00 -4.20 2.44 8.00 -1.26 -4.82 116.55 119.87 1ru9 n ASP 32 Ca -0.16 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.04 1ru9 n ASP 32 Cb 0.55 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.83 1ru9 n ASP 32 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ru9 s PHE 33 N 0.00 1.69 -0.16 1.24 0.40 -1.26 -1.82 117.98 118.07 1ru9 s PHE 33 Ca 0.00 0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 56.69 1ru9 s PHE 33 Cb 0.00 -4.04 0.04 0.00 0.51 0.00 0.00 43.02 39.54 1ru9 s PHE 33 CO 0.00 -2.62 -0.03 0.00 0.70 0.00 0.00 175.22 173.28 1ru9 s ALA 34 N -3.83 1.29 -0.40 5.36 0.00 -0.56 -1.49 121.76 122.13 1ru9 s ALA 34 Ca 0.73 -0.72 -0.20 0.00 0.00 0.00 0.00 51.96 51.76 1ru9 s ALA 34 Cb -0.05 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 21.99 1ru9 s ALA 34 CO 0.53 -0.84 0.62 -1.58 0.00 0.00 0.00 175.76 174.49 1ru9 s TRP 35 N 1.72 3.10 0.20 0.00 0.52 -0.46 -2.35 118.94 121.67 1ru9 s TRP 35 Ca 0.01 0.08 0.04 0.00 0.02 0.00 0.00 56.10 56.25 1ru9 s TRP 35 Cb -0.15 -3.24 -0.03 0.00 -1.15 0.00 0.00 33.47 28.90 1ru9 s TRP 35 CO -0.07 -0.76 0.29 -0.80 0.02 0.00 0.00 176.95 175.63 1ru9 s ASN 35 N 1.91 6.17 -0.14 2.95 0.01 -0.37 -1.46 114.94 124.01 1ru9 s ASN 35 Ca 0.23 0.06 0.02 0.00 -0.71 0.00 0.00 52.86 52.45 1ru9 s ASN 35 Cb -0.14 -1.79 0.01 0.00 0.41 0.00 0.00 41.25 39.74 1ru9 s ASN 35 CO 0.17 -0.01 -0.20 0.26 -1.51 0.00 0.00 177.10 175.82 1ru9 s TRP 36 N -1.88 2.52 -0.00 2.20 0.52 -0.62 -1.01 118.94 120.66 1ru9 s TRP 36 Ca 0.34 -1.31 0.03 0.00 0.02 0.00 0.00 56.10 55.18 1ru9 s TRP 36 Cb -0.10 -1.74 -0.01 0.00 -1.15 0.00 0.00 33.47 30.47 1ru9 s TRP 36 CO 0.28 -0.62 -0.08 0.42 0.02 0.00 0.00 176.95 176.96 1ru9 s ILE 37 N 0.97 0.65 0.09 2.03 1.01 0.97 -0.50 121.20 126.40 1ru9 s ILE 37 Ca -0.04 -0.39 0.07 0.00 0.00 0.00 0.00 60.65 60.29 1ru9 s ILE 37 Cb -0.15 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 1ru9 s ILE 37 CO -0.04 0.16 -0.19 0.00 0.00 0.00 0.00 174.94 174.86 1ru9 s ARG 38 N -0.26 1.07 -0.16 2.79 1.70 -0.66 0.50 118.95 123.92 1ru9 s ARG 38 Ca 0.03 -1.07 0.00 0.00 -0.47 0.00 0.00 55.73 54.22 1ru9 s ARG 38 Cb -0.03 -1.25 0.00 0.00 -0.57 0.00 0.00 34.95 33.10 1ru9 s ARG 38 CO -0.00 0.29 -0.17 -1.14 -1.08 0.00 0.00 175.30 173.20 1ru9 s GLN 39 N -1.75 3.14 0.41 3.89 0.74 -0.03 -0.51 119.66 125.54 1ru9 s GLN 39 Ca 0.04 -0.78 -0.12 0.00 0.05 0.00 0.00 55.36 54.55 1ru9 s GLN 39 Cb -0.10 -2.61 -0.07 0.00 1.10 0.00 0.00 33.01 31.33 1ru9 s GLN 39 CO 0.03 -0.06 0.80 -0.06 -0.55 0.00 0.00 175.29 175.45 1ru9 s PHE 40 N 0.98 3.45 0.35 1.67 0.08 -0.33 -1.25 117.98 122.93 1ru9 s PHE 40 Ca -0.02 1.14 0.27 0.00 0.12 0.00 0.00 56.93 58.44 1ru9 s PHE 40 Cb -0.15 -2.51 1.17 0.00 -0.57 0.00 0.00 43.02 40.96 1ru9 s PHE 40 CO -0.04 -0.11 1.20 -2.30 -0.10 0.00 0.00 175.22 173.87 1ru9 n PRO 41 N -1.17 -0.02 0.15 0.24 -0.02 -1.26 0.28 135.00 133.19 1ru9 n PRO 41 Ca 0.03 0.94 0.13 0.00 -2.02 0.00 0.00 63.50 62.59 1ru9 n PRO 41 Cb 0.54 -1.90 0.42 0.00 -0.02 0.00 0.00 33.50 32.55 1ru9 n PRO 41 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1ru9 h GLY 42 N 0.00 0.00 0.00 -1.23 0.00 -1.97 -3.46 103.07 96.40 1ru9 h GLY 42 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.01 1ru9 h GLY 42 CO -0.31 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.93 1ru9 n ASN 43 N -2.47 -0.64 -4.77 0.19 3.02 0.80 -5.08 115.26 106.32 1ru9 n ASN 43 Ca 0.04 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.20 1ru9 n ASN 43 Cb 0.38 -0.13 -0.06 0.00 -0.61 0.00 0.00 39.78 39.36 1ru9 n ASN 43 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ru9 s LYS 44 N -0.80 4.29 -0.07 3.52 2.20 -1.23 -4.83 119.74 122.82 1ru9 s LYS 44 Ca 0.00 0.71 -0.08 0.00 -0.36 0.00 0.00 55.97 56.24 1ru9 s LYS 44 Cb 0.00 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 1ru9 s LYS 44 CO 0.00 0.39 0.21 -0.51 -0.36 0.00 0.00 175.35 175.09 1ru9 s LEU 45 N -0.27 4.40 -0.06 5.43 1.43 -1.26 -1.18 118.68 127.17 1ru9 s LEU 45 Ca 0.30 0.57 -0.00 0.00 -1.03 0.00 0.00 54.13 53.97 1ru9 s LEU 45 Cb -0.18 -2.30 0.03 0.00 0.03 0.00 0.00 46.19 43.77 1ru9 s LEU 45 CO 0.17 0.36 -0.03 -0.70 0.23 0.00 0.00 176.35 176.38 1ru9 s GLU 46 N -1.21 0.79 -0.01 1.70 2.12 0.33 -4.99 118.70 117.43 1ru9 s GLU 46 Ca 0.19 -0.02 -0.30 0.00 0.36 0.00 0.00 54.97 55.21 1ru9 s GLU 46 Cb -0.13 -0.98 -0.04 0.00 0.26 0.00 0.00 34.13 33.23 1ru9 s GLU 46 CO 0.09 -0.21 1.25 -0.46 -0.54 0.00 0.00 175.26 175.39 1ru9 s TRP 47 N 1.51 3.16 -0.18 5.30 -0.00 -1.26 -1.65 118.94 125.82 1ru9 s TRP 47 Ca -0.02 1.13 -0.15 0.00 -0.00 0.00 0.00 56.10 57.07 1ru9 s TRP 47 Cb -0.13 -3.48 -0.21 0.00 -0.00 0.00 0.00 33.47 29.64 1ru9 s TRP 47 CO -0.03 -1.60 0.22 -1.33 -0.00 0.00 0.00 176.95 174.21 1ru9 n MET 48 N 4.95 0.64 -3.78 5.86 2.81 0.34 -4.47 117.12 123.48 1ru9 n MET 48 Ca 0.11 0.42 0.00 0.00 -1.81 0.00 0.00 57.70 56.42 1ru9 n MET 48 Cb 0.46 -1.71 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 1ru9 n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ru9 n GLY 49 N 1.66 -1.12 3.84 3.03 0.00 -1.13 -0.37 105.19 111.11 1ru9 n GLY 49 Ca -0.34 -1.10 -0.07 0.00 0.00 0.00 0.00 46.02 44.51 1ru9 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ru9 s TYR 50 N -3.00 -0.14 -0.12 1.61 -0.85 0.92 -1.59 117.35 114.17 1ru9 s TYR 50 Ca 0.00 -0.33 -0.04 0.00 -0.52 0.00 0.00 57.07 56.18 1ru9 s TYR 50 Cb 0.00 0.69 0.05 0.00 0.38 0.00 0.00 41.96 43.09 1ru9 s TYR 50 CO 0.00 -1.25 0.12 -1.50 -1.52 0.00 0.00 175.55 171.40 1ru9 s ILE 51 N -3.80 -0.18 0.37 -3.49 2.07 -0.53 -1.82 121.20 113.82 1ru9 s ILE 51 Ca 0.12 0.13 -0.05 0.00 -1.41 0.00 0.00 60.65 59.44 1ru9 s ILE 51 Cb -0.06 -0.41 0.08 0.00 0.13 0.00 0.00 42.46 42.21 1ru9 s ILE 51 CO 0.07 -0.04 0.50 -0.46 -1.91 0.00 0.00 174.94 173.11 1ru9 n ASN 52 N 5.30 0.17 0.30 4.50 0.23 0.49 -1.35 115.26 124.91 1ru9 n ASN 52 Ca -0.05 -1.26 0.16 0.00 -0.53 0.00 0.00 54.58 52.90 1ru9 n ASN 52 Cb 0.50 -0.37 0.97 0.00 -2.08 0.00 0.00 39.78 38.79 1ru9 n ASN 52 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 1ru9 h TYR 53 N -1.10 0.00 -0.48 -2.53 -0.00 -1.42 -1.52 116.97 109.92 1ru9 h TYR 53 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.57 1ru9 h TYR 53 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.21 1ru9 h TYR 53 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.03 1ru9 n SER 54 N -3.70 3.59 0.00 0.10 3.41 -1.26 -4.39 113.62 111.37 1ru9 n SER 54 Ca -0.03 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 1ru9 n SER 54 Cb 0.08 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1ru9 n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ru9 n GLY 55 N 1.55 0.74 3.73 5.00 0.00 -0.57 -5.05 105.19 110.59 1ru9 n GLY 55 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1ru9 n GLY 55 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ru9 s PHE 56 N -2.57 3.31 0.45 1.61 5.36 -1.26 -4.74 117.98 120.14 1ru9 s PHE 56 Ca 0.00 1.22 0.06 0.00 -0.96 0.00 0.00 56.93 57.25 1ru9 s PHE 56 Cb 0.00 -3.56 -0.04 0.00 -0.34 0.00 0.00 43.02 39.07 1ru9 s PHE 56 CO 0.00 -1.78 0.10 0.95 -1.46 0.00 0.00 175.22 173.04 1ru9 s THR 57 N 0.36 1.88 -0.29 0.12 -4.23 -1.26 -0.38 115.64 111.85 1ru9 s THR 57 Ca 0.58 -1.85 -0.17 0.00 -1.18 0.00 0.00 61.69 59.06 1ru9 s THR 57 Cb -0.35 -2.73 0.17 0.00 1.34 0.00 0.00 72.50 70.92 1ru9 s THR 57 CO 0.35 0.00 1.10 -0.55 -0.54 0.00 0.00 174.62 174.99 1ru9 s SER 58 N -3.87 -0.33 0.11 3.99 0.15 -0.75 -4.97 113.70 108.03 1ru9 s SER 58 Ca 0.30 0.55 0.03 0.00 0.70 0.00 0.00 55.95 57.53 1ru9 s SER 58 Cb 0.05 1.04 -0.04 0.00 -1.71 0.00 0.00 66.02 65.36 1ru9 s SER 58 CO 0.16 -0.09 -0.08 -1.38 1.20 0.00 0.00 173.24 173.06 1ru9 s HIS 59 N 1.06 1.01 0.20 3.44 -3.43 -1.26 -0.06 115.29 116.24 1ru9 s HIS 59 Ca -0.07 -0.86 -0.31 0.00 -0.80 0.00 0.00 55.06 53.02 1ru9 s HIS 59 Cb -0.03 -0.55 -0.10 0.00 -1.43 0.00 0.00 32.58 30.47 1ru9 s HIS 59 CO -0.13 -0.08 1.45 1.21 -2.00 0.00 0.00 174.74 175.19 1ru9 s ASN 60 N -3.08 6.69 0.66 7.38 3.84 0.50 -4.90 114.94 126.04 1ru9 s ASN 60 Ca 0.13 2.57 0.44 0.00 0.21 0.00 0.00 52.86 56.21 1ru9 s ASN 60 Cb 0.04 -2.61 2.41 0.00 -0.55 0.00 0.00 41.25 40.54 1ru9 s ASN 60 CO -0.03 -0.70 2.37 -0.65 -2.79 0.00 0.00 177.10 175.30 1ru9 h PRO 61 N 5.78 0.00 0.00 0.43 0.11 -1.94 -1.94 132.00 134.44 1ru9 h PRO 61 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1ru9 h PRO 61 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ru9 h PRO 61 CO 0.82 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.27 1ru9 h SER 62 N 0.00 0.00 -0.19 -2.05 4.64 -1.96 -1.41 113.55 112.57 1ru9 h SER 62 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ru9 h SER 62 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ru9 h SER 62 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1ru9 n LEU 63 N -2.91 2.85 0.00 5.97 4.77 -0.73 -5.04 117.00 121.91 1ru9 n LEU 63 Ca -0.01 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 1ru9 n LEU 63 Cb 0.17 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1ru9 n LEU 63 CO 0.21 0.58 0.00 1.17 -1.33 0.00 0.00 177.39 178.02 1ru9 n LYS 64 N 1.09 0.00 0.00 3.23 4.81 -0.54 -0.52 118.16 126.24 1ru9 n LYS 64 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1ru9 n LYS 64 Cb 0.49 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.54 1ru9 n LYS 64 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1ru9 n SER 65 N 0.00 0.00 0.02 3.14 3.41 -1.26 -4.80 113.62 114.12 1ru9 n SER 65 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1ru9 n SER 65 Cb 0.00 -0.03 0.26 0.00 -0.26 0.00 0.00 64.21 64.19 1ru9 n SER 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ru9 n ARG 66 N -1.96 0.08 -4.59 4.33 1.74 0.33 -4.91 116.66 111.68 1ru9 n ARG 66 Ca 0.00 0.02 -0.33 0.00 -0.77 0.00 0.00 57.85 56.77 1ru9 n ARG 66 Cb 0.00 -1.55 -0.11 0.00 -1.02 0.00 0.00 32.46 29.78 1ru9 n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1ru9 s ILE 67 N -3.05 3.55 -0.04 0.55 2.07 -1.25 -1.53 121.20 121.51 1ru9 s ILE 67 Ca 0.10 -0.68 -0.01 0.00 -1.41 0.00 0.00 60.65 58.65 1ru9 s ILE 67 Cb 0.17 -2.49 0.03 0.00 0.13 0.00 0.00 42.46 40.30 1ru9 s ILE 67 CO 0.69 0.49 0.03 -0.55 -1.91 0.00 0.00 174.94 173.70 1ru9 s SER 68 N -1.10 0.81 -0.19 4.50 0.15 -0.32 -5.01 113.70 112.54 1ru9 s SER 68 Ca 0.14 0.03 -0.00 0.00 0.70 0.00 0.00 55.95 56.82 1ru9 s SER 68 Cb -0.11 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.04 1ru9 s SER 68 CO 0.04 -0.19 -0.15 -0.63 1.20 0.00 0.00 173.24 173.51 1ru9 s ILE 69 N 1.67 2.46 0.37 6.45 1.01 -1.26 -0.96 121.20 130.94 1ru9 s ILE 69 Ca -0.01 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1ru9 s ILE 69 Cb -0.13 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 1ru9 s ILE 69 CO -0.03 0.50 0.11 0.35 0.00 0.00 0.00 174.94 175.88 1ru9 n THR 70 N 4.67 0.00 -3.94 2.92 -2.24 -0.86 -4.92 114.28 109.91 1ru9 n THR 70 Ca -0.20 -2.11 -0.10 0.00 -2.27 0.00 0.00 64.05 59.38 1ru9 n THR 70 Cb 0.50 0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 69.38 1ru9 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ru9 s ARG 71 N -3.41 1.28 -0.32 -0.78 1.70 -1.26 0.95 118.95 117.10 1ru9 s ARG 71 Ca 0.16 -1.16 -0.02 0.00 -0.47 0.00 0.00 55.73 54.24 1ru9 s ARG 71 Cb 0.01 0.42 0.12 0.00 -0.57 0.00 0.00 34.95 34.93 1ru9 s ARG 71 CO 0.11 -0.49 0.18 0.34 -1.08 0.00 0.00 175.30 174.36 1ru9 s ASP 72 N -2.97 3.11 0.36 -2.89 -1.08 0.12 -4.95 116.67 108.37 1ru9 s ASP 72 Ca 0.18 -1.76 0.03 0.00 -0.52 0.00 0.00 52.55 50.49 1ru9 s ASP 72 Cb 0.02 -0.32 0.67 0.00 -1.46 0.00 0.00 42.92 41.83 1ru9 s ASP 72 CO 0.02 -0.36 2.00 0.71 0.52 0.00 0.00 175.17 178.06 1ru9 h THR 73 N 5.63 1.16 -0.12 1.71 1.35 -1.96 0.32 112.91 120.99 1ru9 h THR 73 Ca -0.05 -0.34 0.04 0.00 -0.55 0.00 0.00 66.41 65.50 1ru9 h THR 73 Cb 0.99 0.38 -0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1ru9 h THR 73 CO 0.33 0.16 0.12 0.77 -0.25 0.00 0.00 175.52 176.66 1ru9 h SER 74 N 0.76 0.00 -0.01 5.36 4.64 -1.95 -1.02 113.55 121.33 1ru9 h SER 74 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1ru9 h SER 74 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1ru9 h SER 74 CO -0.04 0.00 -0.33 0.29 -0.87 0.00 0.00 176.83 175.88 1ru9 n LYS 75 N -3.99 1.93 -3.54 4.77 5.02 -0.62 -5.01 118.16 116.72 1ru9 n LYS 75 Ca 0.00 -0.64 -0.19 0.00 -2.02 0.00 0.00 58.31 55.46 1ru9 n LYS 75 Cb 0.23 -1.19 0.07 0.00 -0.02 0.00 0.00 35.03 34.12 1ru9 n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ru9 n ASN 76 N -0.32 -2.03 -4.08 4.39 5.15 0.01 -4.83 115.26 113.54 1ru9 n ASN 76 Ca 0.05 -0.69 -0.14 0.00 -0.60 0.00 0.00 54.58 53.21 1ru9 n ASN 76 Cb 0.28 -4.72 -0.11 0.00 -0.53 0.00 0.00 39.78 34.69 1ru9 n ASN 76 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1ru9 s GLN 77 N -5.65 0.58 0.20 1.20 -0.21 -1.05 -2.37 119.66 112.36 1ru9 s GLN 77 Ca 0.05 -0.82 0.10 0.00 0.02 0.00 0.00 55.36 54.71 1ru9 s GLN 77 Cb -0.02 -0.35 -0.04 0.00 1.00 0.00 0.00 33.01 33.59 1ru9 s GLN 77 CO 0.76 0.06 -0.20 -0.59 -2.12 0.00 0.00 175.29 173.21 1ru9 s PHE 78 N -1.51 2.02 0.22 0.91 -0.71 -0.82 -0.70 117.98 117.39 1ru9 s PHE 78 Ca -0.08 -0.43 0.07 0.00 -1.04 0.00 0.00 56.93 55.45 1ru9 s PHE 78 Cb -0.09 -0.97 -0.05 0.00 -1.21 0.00 0.00 43.02 40.70 1ru9 s PHE 78 CO 0.00 0.45 -0.11 -0.06 -1.34 0.00 0.00 175.22 174.17 1ru9 s PHE 79 N -2.13 1.70 -0.06 3.49 0.08 0.27 -1.23 117.98 120.10 1ru9 s PHE 79 Ca 0.20 -0.66 0.02 0.00 0.12 0.00 0.00 56.93 56.62 1ru9 s PHE 79 Cb -0.06 -0.86 0.01 0.00 -0.57 0.00 0.00 43.02 41.54 1ru9 s PHE 79 CO 0.09 0.27 -0.12 -1.17 -0.10 0.00 0.00 175.22 174.19 1ru9 s LEU 80 N -3.33 1.68 -0.10 -0.37 2.96 -0.36 -2.03 118.68 117.13 1ru9 s LEU 80 Ca 0.24 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1ru9 s LEU 80 Cb 0.01 -0.79 0.03 0.00 0.50 0.00 0.00 46.19 45.94 1ru9 s LEU 80 CO 0.07 0.05 -0.04 -1.58 -1.32 0.00 0.00 176.35 173.53 1ru9 s GLN 81 N 0.55 1.12 -0.20 1.98 0.74 -0.13 -0.82 119.66 122.89 1ru9 s GLN 81 Ca -0.12 -0.10 0.01 0.00 0.05 0.00 0.00 55.36 55.20 1ru9 s GLN 81 Cb -0.14 -1.33 0.04 0.00 1.10 0.00 0.00 33.01 32.68 1ru9 s GLN 81 CO 0.03 -0.29 -0.10 -1.17 -0.55 0.00 0.00 175.29 173.21 1ru9 s LEU 82 N 1.82 2.35 0.61 3.68 2.96 -0.57 -1.17 118.68 128.36 1ru9 s LEU 82 Ca 0.05 -0.92 0.03 0.00 -0.22 0.00 0.00 54.13 53.06 1ru9 s LEU 82 Cb -0.12 -1.25 0.08 0.00 0.50 0.00 0.00 46.19 45.40 1ru9 s LEU 82 CO -0.07 -0.15 0.84 0.54 -1.32 0.00 0.00 176.35 176.19 1ru9 s ASN 82 N 1.38 4.91 -1.49 3.68 2.20 -0.58 -0.20 114.94 124.84 1ru9 s ASN 82 Ca -0.02 -0.37 -0.13 0.00 -0.94 0.00 0.00 52.86 51.40 1ru9 s ASN 82 Cb -0.16 -0.26 0.09 0.00 -2.00 0.00 0.00 41.25 38.91 1ru9 s ASN 82 CO -0.08 -1.43 0.76 -1.20 -2.94 0.00 0.00 177.10 172.21 1ru9 n SER 82 N -2.47 -4.28 -4.73 3.54 7.64 -0.70 -4.88 113.62 107.75 1ru9 n SER 82 Ca 0.12 -0.66 -0.33 0.00 1.01 0.00 0.00 58.87 59.02 1ru9 n SER 82 Cb 0.60 -3.47 0.10 0.00 -1.01 0.00 0.00 64.21 60.44 1ru9 n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1ru9 s VAL 82 N -3.16 2.57 0.24 0.44 -7.23 -0.99 -4.62 120.40 107.66 1ru9 s VAL 82 Ca 0.57 0.24 0.01 0.00 -1.81 0.00 0.00 61.98 60.99 1ru9 s VAL 82 Cb -0.29 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 1ru9 s VAL 82 CO 0.70 -0.19 0.18 0.42 -0.31 0.00 0.00 175.10 175.90 1ru9 s THR 83 N -2.36 0.00 0.43 5.32 -4.23 -1.26 0.19 115.64 113.73 1ru9 s THR 83 Ca 0.69 -1.99 0.32 0.00 -1.18 0.00 0.00 61.69 59.53 1ru9 s THR 83 Cb -0.24 -2.50 0.32 0.00 1.34 0.00 0.00 72.50 71.42 1ru9 s THR 83 CO 0.49 0.00 1.98 0.71 -0.54 0.00 0.00 174.62 177.26 1ru9 h THR 84 N 2.47 0.00 0.00 3.99 1.35 -1.98 0.23 112.91 118.97 1ru9 h THR 84 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1ru9 h THR 84 Cb 1.24 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1ru9 h THR 84 CO 0.48 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.13 1ru9 n GLU 85 N -2.75 0.04 -0.05 4.72 -0.58 -1.26 -1.97 120.64 118.80 1ru9 n GLU 85 Ca -0.02 0.22 0.12 0.00 -0.42 0.00 0.00 57.16 57.06 1ru9 n GLU 85 Cb 0.19 -1.57 0.35 0.00 -0.57 0.00 0.00 31.44 29.83 1ru9 n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1ru9 n ASP 86 N -1.65 2.14 -4.64 1.62 8.00 0.81 -4.86 116.55 117.96 1ru9 n ASP 86 Ca 0.04 -1.73 -0.43 0.00 0.71 0.00 0.00 54.79 53.38 1ru9 n ASP 86 Cb 0.23 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 1ru9 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ru9 s THR 87 N -1.88 3.75 0.08 -3.53 2.01 -0.83 -4.86 115.64 110.38 1ru9 s THR 87 Ca 0.34 0.88 -0.26 0.00 0.31 0.00 0.00 61.69 62.96 1ru9 s THR 87 Cb 0.20 -3.67 0.09 0.00 0.01 0.00 0.00 72.50 69.13 1ru9 s THR 87 CO 0.31 -0.19 1.16 0.00 -0.69 0.00 0.00 174.62 175.20 1ru9 s ALA 88 N 4.56 -2.01 -0.20 7.40 0.00 -1.03 -4.50 121.76 125.97 1ru9 s ALA 88 Ca 0.69 -0.02 -0.17 0.00 0.00 0.00 0.00 51.96 52.46 1ru9 s ALA 88 Cb -0.27 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 1ru9 s ALA 88 CO 0.27 -1.09 0.47 0.99 0.00 0.00 0.00 175.76 176.40 1ru9 s THR 89 N -2.24 5.14 -0.10 0.00 2.01 -0.38 -1.97 115.64 118.10 1ru9 s THR 89 Ca 0.23 0.86 -0.08 0.00 0.31 0.00 0.00 61.69 63.00 1ru9 s THR 89 Cb -0.01 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1ru9 s THR 89 CO 0.02 0.20 0.19 -0.31 -0.69 0.00 0.00 174.62 174.03 1ru9 s TYR 90 N 1.54 3.62 0.04 4.92 1.51 0.59 -0.86 117.35 128.72 1ru9 s TYR 90 Ca 0.22 0.62 0.04 0.00 -1.01 0.00 0.00 57.07 56.94 1ru9 s TYR 90 Cb -0.15 -2.01 -0.02 0.00 -0.11 0.00 0.00 41.96 39.67 1ru9 s TYR 90 CO 0.09 0.72 -0.12 0.71 -1.11 0.00 0.00 175.55 175.84 1ru9 s TYR 91 N -1.03 1.03 -0.03 2.71 2.02 0.18 -0.94 117.35 121.29 1ru9 s TYR 91 Ca 0.17 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 56.52 1ru9 s TYR 91 Cb -0.13 -0.60 -0.03 0.00 -0.40 0.00 0.00 41.96 40.80 1ru9 s TYR 91 CO 0.06 0.01 -0.13 0.00 -1.57 0.00 0.00 175.55 173.92 1ru9 s ALA 93 N -0.81 -0.91 -0.09 0.00 0.00 -0.18 -1.62 121.76 118.15 1ru9 s ALA 93 Ca 0.13 1.24 -0.11 0.00 0.00 0.00 0.00 51.96 53.21 1ru9 s ALA 93 Cb -0.11 -0.74 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 1ru9 s ALA 93 CO 0.02 -0.22 0.27 0.20 0.00 0.00 0.00 175.76 176.04 1ru9 s GLY 94 N 0.88 2.28 -0.01 0.00 0.00 0.37 -1.24 107.32 109.60 1ru9 s GLY 94 Ca -0.06 -0.45 0.02 0.00 0.00 0.00 0.00 44.72 44.23 1ru9 s GLY 94 CO -0.07 0.02 -0.05 1.08 0.00 0.00 0.00 173.10 174.08 1ru9 s LEU 95 N -0.65 1.82 0.17 0.66 1.02 -0.99 -1.28 118.68 119.42 1ru9 s LEU 95 Ca 0.18 -0.10 -0.31 0.00 0.02 0.00 0.00 54.13 53.91 1ru9 s LEU 95 Cb -0.14 -0.33 -0.11 0.00 0.02 0.00 0.00 46.19 45.63 1ru9 s LEU 95 CO 0.07 0.04 1.77 -0.76 0.02 0.00 0.00 176.35 177.49 1ru9 s LEU 96 N 0.14 4.38 0.49 1.79 1.43 -0.54 -1.49 118.68 124.89 1ru9 s LEU 96 Ca -0.01 2.81 0.15 0.00 -1.03 0.00 0.00 54.13 56.04 1ru9 s LEU 96 Cb -0.05 -3.58 1.16 0.00 0.03 0.00 0.00 46.19 43.75 1ru9 s LEU 96 CO -0.00 -0.98 2.10 -0.25 0.23 0.00 0.00 176.35 177.45 1ru9 h TRP 97 N 7.66 0.05 -0.11 0.29 2.91 -1.62 -3.10 115.95 122.03 1ru9 h TRP 97 Ca -0.44 -0.00 -0.11 0.00 1.13 0.00 0.00 58.89 59.46 1ru9 h TRP 97 Cb 1.21 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.84 1ru9 h TRP 97 CO 0.71 0.08 -0.37 -0.92 -1.03 0.00 0.00 178.44 176.91 1ru9 h TYR 98 N 0.06 0.59 0.00 2.65 3.20 -1.89 -3.51 116.97 118.07 1ru9 h TYR 98 Ca 0.01 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.64 1ru9 h TYR 98 Cb 0.07 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.24 1ru9 h TYR 98 CO 0.00 0.98 0.00 -0.40 -1.64 0.00 0.00 178.16 177.10 1ru9 n ASP 99 N -4.35 0.03 0.00 -2.11 5.68 -1.17 -5.27 116.55 109.36 1ru9 n ASP 99 Ca -0.07 0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.39 1ru9 n ASP 99 Cb 0.52 0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 1ru9 n ASP 99 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ru9 n GLY 100 N 1.90 -1.71 2.31 6.12 0.00 -1.26 -4.97 105.19 107.59 1ru9 n GLY 100 Ca 0.00 -1.28 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 1ru9 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ru9 n ALA 100 N -0.04 -0.65 -1.70 4.61 0.00 -1.26 -1.47 120.51 120.00 1ru9 n ALA 100 Ca 0.00 0.11 -0.54 0.00 0.00 0.00 0.00 53.44 53.01 1ru9 n ALA 100 Cb 0.00 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.00 1ru9 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ru9 n GLY 101 N -0.65 1.06 3.08 0.00 0.00 -1.25 -4.74 105.19 102.69 1ru9 n GLY 101 Ca -0.13 0.90 -0.29 0.00 0.00 0.00 0.00 46.02 46.50 1ru9 n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ru9 s SER 102 N 3.61 2.46 0.09 1.61 0.01 -0.41 -4.95 113.70 116.13 1ru9 s SER 102 Ca 0.96 -0.43 0.07 0.00 1.31 0.00 0.00 55.95 57.85 1ru9 s SER 102 Cb -0.94 -1.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 1ru9 s SER 102 CO 0.60 0.05 -0.11 0.26 0.41 0.00 0.00 173.24 174.45 1ru9 s TRP 103 N 0.81 2.72 1.06 2.43 0.52 -1.26 -0.48 118.94 124.73 1ru9 s TRP 103 Ca -0.10 -0.16 -0.18 0.00 0.02 0.00 0.00 56.10 55.68 1ru9 s TRP 103 Cb -0.16 -1.44 0.24 0.00 -1.15 0.00 0.00 33.47 30.97 1ru9 s TRP 103 CO 0.01 0.41 1.28 0.20 0.02 0.00 0.00 176.95 178.87 1ru9 s GLY 104 N -2.11 1.75 0.25 0.98 0.00 -0.64 -4.59 107.32 102.96 1ru9 s GLY 104 Ca 0.20 -1.22 0.24 0.00 0.00 0.00 0.00 44.72 43.94 1ru9 s GLY 104 CO 0.12 -0.37 1.73 0.61 0.00 0.00 0.00 173.10 175.19 1ru9 n GLN 105 N -4.13 0.21 0.00 2.90 0.00 -1.26 -4.86 117.38 110.25 1ru9 n GLN 105 Ca 0.16 0.37 0.00 0.00 0.00 0.00 0.00 57.00 57.53 1ru9 n GLN 105 Cb 0.59 -1.86 0.00 0.00 0.00 0.00 0.00 30.24 28.97 1ru9 n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ru9 n GLY 106 N 0.33 -1.44 3.21 2.61 0.00 -1.26 -5.05 105.19 103.59 1ru9 n GLY 106 Ca 0.03 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 1ru9 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ru9 s THR 107 N -1.38 1.79 0.04 2.61 -1.32 -0.11 -4.93 115.64 112.35 1ru9 s THR 107 Ca 0.00 -0.91 -0.24 0.00 -1.21 0.00 0.00 61.69 59.33 1ru9 s THR 107 Cb 0.00 -1.53 -0.06 0.00 -1.51 0.00 0.00 72.50 69.40 1ru9 s THR 107 CO 0.00 0.50 0.73 -0.22 -2.21 0.00 0.00 174.62 173.42 1ru9 s LEU 108 N -0.02 4.46 -0.10 9.08 2.96 -1.26 -0.30 118.68 133.49 1ru9 s LEU 108 Ca -0.05 1.40 0.00 0.00 -0.22 0.00 0.00 54.13 55.26 1ru9 s LEU 108 Cb -0.13 -3.17 0.02 0.00 0.50 0.00 0.00 46.19 43.41 1ru9 s LEU 108 CO 0.04 0.05 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.35 1ru9 s VAL 109 N -0.18 0.95 -0.16 1.68 1.01 -0.83 -4.51 120.40 118.35 1ru9 s VAL 109 Ca 0.37 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 1ru9 s VAL 109 Cb -0.20 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1ru9 s VAL 109 CO 0.22 0.35 0.00 -0.89 0.00 0.00 0.00 175.10 174.78 1ru9 s THR 110 N 1.52 4.26 -0.52 3.92 2.01 0.79 -2.46 115.64 125.15 1ru9 s THR 110 Ca 0.01 -0.23 -0.13 0.00 0.31 0.00 0.00 61.69 61.65 1ru9 s THR 110 Cb -0.13 -2.88 0.13 0.00 0.01 0.00 0.00 72.50 69.63 1ru9 s THR 110 CO -0.06 0.50 0.44 -0.69 -0.69 0.00 0.00 174.62 174.12 1ru9 s VAL 111 N 0.22 4.77 0.12 3.82 1.01 -1.26 -1.12 120.40 127.96 1ru9 s VAL 111 Ca 0.00 -1.68 -0.12 0.00 0.00 0.00 0.00 61.98 60.18 1ru9 s VAL 111 Cb -0.13 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.17 1ru9 s VAL 111 CO 0.02 -0.84 0.31 -0.55 0.00 0.00 0.00 175.10 174.04 1ru9 s SER 112 N 3.10 -0.05 0.00 3.32 0.15 -0.52 -4.31 113.70 115.39 1ru9 s SER 112 Ca 0.05 -0.55 0.22 0.00 0.70 0.00 0.00 55.95 56.37 1ru9 s SER 112 Cb -0.27 0.42 0.07 0.00 -1.71 0.00 0.00 66.02 64.52 1ru9 s SER 112 CO 0.01 -0.82 1.13 0.00 1.20 0.00 0.00 173.24 174.75 1ru9 n ALA 113 N -0.17 3.10 -0.83 5.45 0.00 -1.26 -4.12 120.51 122.68 1ru9 n ALA 113 Ca -0.14 -0.65 -0.30 0.00 0.00 0.00 0.00 53.44 52.34 1ru9 n ALA 113 Cb 0.63 -0.77 0.16 0.00 0.00 0.00 0.00 19.45 19.47 1ru9 n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ru9 s ALA 114 N -2.21 1.31 0.06 0.00 0.00 -1.26 -5.01 121.76 114.65 1ru9 s ALA 114 Ca 0.21 0.35 -0.07 0.00 0.00 0.00 0.00 51.96 52.45 1ru9 s ALA 114 Cb 0.18 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 1ru9 s ALA 114 CO 0.45 -2.71 0.33 -1.59 0.00 0.00 0.00 175.76 172.24 1ru9 s LYS 115 N -4.70 3.64 0.18 0.00 -2.85 -1.26 -5.05 119.74 109.71 1ru9 s LYS 115 Ca 0.66 -0.01 -0.31 0.00 -1.00 0.00 0.00 55.97 55.31 1ru9 s LYS 115 Cb -0.22 -3.00 -0.10 0.00 -2.06 0.00 0.00 37.83 32.46 1ru9 s LYS 115 CO 0.59 0.58 1.48 0.99 0.10 0.00 0.00 175.35 179.09 1ru9 s THR 116 N -1.42 2.79 -0.03 3.79 2.01 -1.26 -4.74 115.64 116.79 1ru9 s THR 116 Ca 0.33 0.60 0.01 0.00 0.31 0.00 0.00 61.69 62.94 1ru9 s THR 116 Cb -0.13 -3.38 0.02 0.00 0.01 0.00 0.00 72.50 69.01 1ru9 s THR 116 CO 0.19 0.06 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.26 1ru9 s THR 117 N 0.74 0.41 0.56 -0.82 2.01 0.10 -4.95 115.64 113.69 1ru9 s THR 117 Ca 0.65 -0.10 -0.16 0.00 0.31 0.00 0.00 61.69 62.39 1ru9 s THR 117 Cb -0.41 -0.42 -0.06 0.00 0.01 0.00 0.00 72.50 71.62 1ru9 s THR 117 CO 0.35 0.17 1.02 0.00 -0.69 0.00 0.00 174.62 175.47 1ru9 s ALA 118 N 0.61 2.92 0.41 7.40 0.00 -1.26 -1.81 121.76 130.02 1ru9 s ALA 118 Ca -0.07 0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 1ru9 s ALA 118 Cb -0.11 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 1ru9 s ALA 118 CO -0.00 -0.53 0.66 -1.25 0.00 0.00 0.00 175.76 174.63 1ru9 s PRO 119 N -4.15 3.47 -0.23 0.00 0.04 -1.26 -4.44 135.00 128.44 1ru9 s PRO 119 Ca 0.61 -0.12 -0.08 0.00 0.04 0.00 0.00 61.00 61.44 1ru9 s PRO 119 Cb -0.13 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 1ru9 s PRO 119 CO 0.35 -0.03 0.09 -1.12 0.04 0.00 0.00 177.00 176.33 1ru9 s SER 120 N -4.08 5.49 -0.42 6.66 0.01 0.09 -4.92 113.70 116.53 1ru9 s SER 120 Ca 0.44 -0.05 -0.12 0.00 1.31 0.00 0.00 55.95 57.52 1ru9 s SER 120 Cb -0.10 -1.97 0.06 0.00 0.21 0.00 0.00 66.02 64.21 1ru9 s SER 120 CO 0.40 0.05 0.29 -0.69 0.41 0.00 0.00 173.24 173.69 1ru9 s VAL 121 N 1.13 4.73 -0.14 3.43 1.01 -1.26 -0.93 120.40 128.36 1ru9 s VAL 121 Ca 0.05 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 60.88 1ru9 s VAL 121 Cb -0.14 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1ru9 s VAL 121 CO 0.04 -0.43 0.16 -0.31 0.00 0.00 0.00 175.10 174.56 1ru9 s TYR 122 N 1.55 3.54 0.21 5.22 2.02 0.51 -4.94 117.35 125.47 1ru9 s TYR 122 Ca 0.03 0.50 -0.28 0.00 -0.37 0.00 0.00 57.07 56.95 1ru9 s TYR 122 Cb -0.22 -2.05 -0.09 0.00 -0.40 0.00 0.00 41.96 39.21 1ru9 s TYR 122 CO 0.06 0.57 0.88 -1.25 -1.57 0.00 0.00 175.55 174.23 1ru9 s PRO 123 N -0.53 4.73 -0.56 -1.71 0.04 -1.26 -0.52 135.00 135.19 1ru9 s PRO 123 Ca 0.13 1.35 -0.04 0.00 0.04 0.00 0.00 61.00 62.48 1ru9 s PRO 123 Cb -0.12 -3.25 0.15 0.00 0.04 0.00 0.00 34.50 31.31 1ru9 s PRO 123 CO 0.03 0.53 0.39 -0.51 0.04 0.00 0.00 177.00 177.48 1ru9 s LEU 124 N -1.20 5.40 -0.04 -3.56 1.43 -0.48 -4.89 118.68 115.35 1ru9 s LEU 124 Ca 0.39 -2.51 -0.19 0.00 -1.03 0.00 0.00 54.13 50.80 1ru9 s LEU 124 Cb -0.25 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 1ru9 s LEU 124 CO 0.29 -0.47 0.53 0.00 0.23 0.00 0.00 176.35 176.94 1ru9 s ALA 125 N 0.45 3.52 0.61 4.21 0.00 -1.26 -1.47 121.76 127.81 1ru9 s ALA 125 Ca 0.13 -0.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.83 1ru9 s ALA 125 Cb -0.21 -2.66 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 1ru9 s ALA 125 CO -0.04 0.17 1.24 -1.25 0.00 0.00 0.00 175.76 175.88 1ru9 s PRO 126 N -0.11 2.86 0.24 0.00 0.04 -1.26 -4.89 135.00 131.89 1ru9 s PRO 126 Ca 0.28 1.91 -0.30 0.00 0.04 0.00 0.00 61.00 62.94 1ru9 s PRO 126 Cb -0.17 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 1ru9 s PRO 126 CO 0.15 -1.31 1.02 0.14 0.04 0.00 0.00 177.00 177.03 1ru9 s VAL 127 N -1.52 3.86 0.13 -0.36 -7.23 -1.26 -4.47 120.40 109.54 1ru9 s VAL 127 Ca 0.79 1.82 -0.15 0.00 -1.81 0.00 0.00 61.98 62.63 1ru9 s VAL 127 Cb -0.33 -4.16 0.08 0.00 0.56 0.00 0.00 36.38 32.53 1ru9 s VAL 127 CO 0.35 0.41 0.98 0.00 -0.31 0.00 0.00 175.10 176.54 1ru9 h GLY 129 N 0.00 0.00 -3.68 0.00 0.00 -2.03 -0.85 103.07 96.50 1ru9 h GLY 129 Ca 0.17 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 47.03 1ru9 h GLY 129 CO -0.62 0.00 0.54 1.34 0.00 0.00 0.00 176.54 177.80 1ru9 n ASP 130 N -3.89 3.79 0.00 0.19 -0.08 0.20 -4.20 116.55 112.57 1ru9 n ASP 130 Ca 0.15 -3.65 0.00 0.00 -1.51 0.00 0.00 54.79 49.77 1ru9 n ASP 130 Cb 0.90 -0.81 0.00 0.00 2.34 0.00 0.00 41.12 43.55 1ru9 n ASP 130 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1ru9 n THR 133 N -1.13 0.70 1.13 5.18 -2.24 -0.32 -4.70 114.28 112.90 1ru9 n THR 133 Ca 0.56 -0.75 0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1ru9 n THR 133 Cb 1.51 0.68 0.20 0.00 -2.10 0.00 0.00 70.33 70.61 1ru9 n THR 133 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ru9 n THR 134 N -0.35 0.00 -1.53 4.28 -2.24 -1.26 -4.95 114.28 108.23 1ru9 n THR 134 Ca 0.00 -0.21 -0.06 0.00 -2.27 0.00 0.00 64.05 61.51 1ru9 n THR 134 Cb 0.27 0.84 0.04 0.00 -2.10 0.00 0.00 70.33 69.37 1ru9 n THR 134 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ru9 n GLY 135 N 1.37 -0.65 0.14 3.38 0.00 -1.26 -4.98 105.19 103.19 1ru9 n GLY 135 Ca 0.11 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.49 1ru9 n GLY 135 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ru9 h SER 136 N -0.32 0.00 -4.29 1.61 4.64 -1.97 -3.42 113.55 109.79 1ru9 h SER 136 Ca -0.09 -0.04 -0.51 0.00 -0.47 0.00 0.00 61.79 60.68 1ru9 h SER 136 Cb 0.27 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.10 1ru9 h SER 136 CO 0.07 0.02 -0.82 -0.44 -0.87 0.00 0.00 176.83 174.79 1ru9 s SER 137 N -5.23 2.07 -0.01 4.97 0.01 -1.26 -0.55 113.70 113.70 1ru9 s SER 137 Ca 0.07 -0.48 0.04 0.00 1.31 0.00 0.00 55.95 56.89 1ru9 s SER 137 Cb 0.09 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.16 1ru9 s SER 137 CO 0.68 0.11 -0.12 0.54 0.41 0.00 0.00 173.24 174.85 1ru9 s VAL 138 N -0.79 0.97 -0.15 3.43 0.11 -0.58 -4.70 120.40 118.68 1ru9 s VAL 138 Ca 0.05 -0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 58.57 1ru9 s VAL 138 Cb -0.08 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 1ru9 s VAL 138 CO 0.01 0.28 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.07 1ru9 s THR 139 N -0.23 3.22 0.32 5.04 2.01 -1.26 -1.96 115.64 122.77 1ru9 s THR 139 Ca 0.04 -0.59 0.10 0.00 0.31 0.00 0.00 61.69 61.54 1ru9 s THR 139 Cb -0.05 -2.38 -0.05 0.00 0.01 0.00 0.00 72.50 70.02 1ru9 s THR 139 CO -0.00 0.50 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.64 1ru9 s LEU 140 N 0.57 2.95 0.00 4.42 1.02 -0.27 -4.43 118.68 122.93 1ru9 s LEU 140 Ca -0.06 -0.95 0.04 0.00 0.02 0.00 0.00 54.13 53.17 1ru9 s LEU 140 Cb -0.15 -1.35 -0.01 0.00 0.02 0.00 0.00 46.19 44.69 1ru9 s LEU 140 CO 0.03 -0.16 0.30 0.61 0.02 0.00 0.00 176.35 177.15 1ru9 n GLY 141 N -0.89 2.79 3.27 -3.19 0.00 -0.54 -0.87 105.19 105.76 1ru9 n GLY 141 Ca -0.05 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 1ru9 n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ru9 s LEU 143 N 0.98 3.01 -0.47 0.00 2.96 0.32 -1.40 118.68 124.09 1ru9 s LEU 143 Ca -0.06 -0.94 -0.16 0.00 -0.22 0.00 0.00 54.13 52.75 1ru9 s LEU 143 Cb -0.07 -1.60 0.06 0.00 0.50 0.00 0.00 46.19 45.09 1ru9 s LEU 143 CO -0.08 -0.11 0.42 -0.69 -1.32 0.00 0.00 176.35 174.57 1ru9 s VAL 144 N 1.27 5.18 0.17 1.68 1.01 0.11 -0.36 120.40 129.46 1ru9 s VAL 144 Ca -0.01 -0.93 0.11 0.00 0.00 0.00 0.00 61.98 61.16 1ru9 s VAL 144 Cb -0.17 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1ru9 s VAL 144 CO -0.06 -0.59 -0.23 -0.75 0.00 0.00 0.00 175.10 173.47 1ru9 s LYS 145 N 1.81 1.57 -1.11 2.72 2.20 -0.11 -0.53 119.74 126.28 1ru9 s LYS 145 Ca 0.06 -1.42 -0.06 0.00 -0.36 0.00 0.00 55.97 54.19 1ru9 s LYS 145 Cb -0.23 -1.92 0.01 0.00 -1.51 0.00 0.00 37.83 34.18 1ru9 s LYS 145 CO 0.08 0.42 0.97 0.41 -0.36 0.00 0.00 175.35 176.87 1ru9 n GLY 146 N 0.47 -0.29 3.70 5.54 0.00 -0.27 -0.73 105.19 113.62 1ru9 n GLY 146 Ca -0.14 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1ru9 n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ru9 s TYR 147 N -3.27 2.66 -0.28 1.61 1.13 -0.95 -4.42 117.35 113.83 1ru9 s TYR 147 Ca 0.41 -0.40 -0.20 0.00 -1.41 0.00 0.00 57.07 55.46 1ru9 s TYR 147 Cb -0.18 -1.61 0.12 0.00 -1.10 0.00 0.00 41.96 39.20 1ru9 s TYR 147 CO 0.61 0.37 0.96 0.12 -2.51 0.00 0.00 175.55 175.10 1ru9 s PHE 148 N -2.46 -0.59 0.00 -3.49 5.36 -0.75 0.69 117.98 116.74 1ru9 s PHE 148 Ca 0.37 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.63 1ru9 s PHE 148 Cb -0.02 0.38 0.00 0.00 -0.34 0.00 0.00 43.02 43.04 1ru9 s PHE 148 CO 0.22 -0.29 0.00 -0.35 -1.46 0.00 0.00 175.22 173.34 1ru9 n PRO 149 N 3.05 2.30 -2.43 10.12 -0.04 -1.26 0.03 135.00 146.77 1ru9 n PRO 149 Ca -0.16 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.00 1ru9 n PRO 149 Cb 0.57 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.02 1ru9 n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ru9 s GLU 150 N 1.53 3.71 0.00 0.54 0.41 -1.26 -4.78 118.70 118.84 1ru9 s GLU 150 Ca 0.00 0.59 0.00 0.00 -0.41 0.00 0.00 54.97 55.15 1ru9 s GLU 150 Cb 0.00 -2.25 0.00 0.00 -1.78 0.00 0.00 34.13 30.10 1ru9 s GLU 150 CO 0.00 -0.27 0.00 -0.35 -0.49 0.00 0.00 175.26 174.15 1ru9 n PRO 151 N -1.99 2.50 -4.01 0.39 -0.04 -1.26 -4.96 135.00 125.63 1ru9 n PRO 151 Ca 0.04 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.40 1ru9 n PRO 151 Cb 0.54 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.89 1ru9 n PRO 151 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ru9 s VAL 152 N 0.46 0.22 -0.04 0.52 -7.23 -1.26 -4.41 120.40 108.65 1ru9 s VAL 152 Ca 0.00 -1.03 0.02 0.00 -1.81 0.00 0.00 61.98 59.16 1ru9 s VAL 152 Cb 0.00 -0.45 -0.03 0.00 0.56 0.00 0.00 36.38 36.46 1ru9 s VAL 152 CO 0.00 -0.52 -0.08 0.42 -0.31 0.00 0.00 175.10 174.61 1ru9 s THR 153 N -1.66 3.56 -0.03 5.32 -4.23 -0.08 -4.94 115.64 113.57 1ru9 s THR 153 Ca -0.13 -0.61 0.01 0.00 -1.18 0.00 0.00 61.69 59.78 1ru9 s THR 153 Cb -0.08 -2.47 0.03 0.00 1.34 0.00 0.00 72.50 71.31 1ru9 s THR 153 CO -0.01 0.54 -0.01 -0.22 -0.54 0.00 0.00 174.62 174.37 1ru9 s LEU 154 N -0.97 1.23 0.20 4.79 0.20 -1.26 -1.36 118.68 121.51 1ru9 s LEU 154 Ca 0.14 -0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.92 1ru9 s LEU 154 Cb -0.11 -0.27 -0.05 0.00 -0.43 0.00 0.00 46.19 45.34 1ru9 s LEU 154 CO 0.03 -0.09 0.05 0.42 -0.29 0.00 0.00 176.35 176.47 1ru9 s THR 156 N 0.96 0.56 -0.09 3.68 -4.23 -0.73 -4.99 115.64 110.80 1ru9 s THR 156 Ca -0.10 -1.98 0.03 0.00 -1.18 0.00 0.00 61.69 58.45 1ru9 s THR 156 Cb -0.14 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.36 1ru9 s THR 156 CO -0.01 -0.27 -0.18 0.26 -0.54 0.00 0.00 174.62 173.87 1ru9 s TRP 157 N -3.75 2.64 -1.45 3.99 0.52 -1.26 -0.78 118.94 118.86 1ru9 s TRP 157 Ca 0.30 -0.62 -0.03 0.00 0.02 0.00 0.00 56.10 55.77 1ru9 s TRP 157 Cb 0.07 -1.71 0.02 0.00 -1.15 0.00 0.00 33.47 30.70 1ru9 s TRP 157 CO 0.08 -0.16 0.47 0.09 0.02 0.00 0.00 176.95 177.45 1ru9 n ASN 162 N 3.10 -0.77 -3.44 2.95 3.02 0.30 -0.73 115.26 119.69 1ru9 n ASN 162 Ca -0.18 -1.01 -0.25 0.00 -0.03 0.00 0.00 54.58 53.12 1ru9 n ASN 162 Cb 0.52 -3.02 0.03 0.00 -0.61 0.00 0.00 39.78 36.71 1ru9 n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ru9 n SER 163 N -2.94 -5.40 0.00 6.41 7.64 -1.26 -1.65 113.62 116.42 1ru9 n SER 163 Ca -0.26 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.14 1ru9 n SER 163 Cb 0.66 -4.33 0.00 0.00 -1.01 0.00 0.00 64.21 59.53 1ru9 n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ru9 n GLY 164 N -1.60 1.53 0.08 0.23 0.00 0.09 -4.87 105.19 100.65 1ru9 n GLY 164 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1ru9 n GLY 164 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ru9 n SER 165 N 0.00 0.56 -4.09 1.61 3.41 -0.66 -4.37 113.62 110.08 1ru9 n SER 165 Ca 0.00 0.58 -0.34 0.00 -0.26 0.00 0.00 58.87 58.84 1ru9 n SER 165 Cb 0.00 -0.72 -0.13 0.00 -0.26 0.00 0.00 64.21 63.10 1ru9 n SER 165 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ru9 s LEU 166 N -4.09 4.96 0.00 1.04 2.96 -1.08 -4.90 118.68 117.57 1ru9 s LEU 166 Ca 0.10 -2.01 0.00 0.00 -0.22 0.00 0.00 54.13 51.99 1ru9 s LEU 166 Cb 0.13 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 45.07 1ru9 s LEU 166 CO 0.51 -0.46 0.00 -1.54 -1.32 0.00 0.00 176.35 173.54 1ru9 n SER 167 N 4.47 3.63 -4.76 3.68 3.41 -1.26 -4.16 113.62 118.63 1ru9 n SER 167 Ca -0.01 -0.10 -0.39 0.00 -0.26 0.00 0.00 58.87 58.11 1ru9 n SER 167 Cb 0.42 0.92 -0.06 0.00 -0.26 0.00 0.00 64.21 65.23 1ru9 n SER 167 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ru9 s SER 168 N -1.65 7.54 -0.88 4.04 0.01 -1.26 -3.78 113.70 117.72 1ru9 s SER 168 Ca 0.00 1.86 -0.01 0.00 1.31 0.00 0.00 55.95 59.11 1ru9 s SER 168 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1ru9 s SER 168 CO 0.00 0.14 0.12 0.61 0.41 0.00 0.00 173.24 174.52 1ru9 n GLY 169 N 1.37 -0.03 3.56 3.44 0.00 -1.26 -4.57 105.19 107.70 1ru9 n GLY 169 Ca -0.02 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 1ru9 n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ru9 s VAL 171 N -2.66 3.78 -0.23 1.61 1.01 -1.25 -0.41 120.40 122.24 1ru9 s VAL 171 Ca 0.06 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 1ru9 s VAL 171 Cb -0.03 -2.58 0.07 0.00 0.00 0.00 0.00 36.38 33.84 1ru9 s VAL 171 CO 0.07 0.57 0.01 -1.00 0.00 0.00 0.00 175.10 174.76 1ru9 s HIS 172 N -0.47 1.75 -0.27 5.22 3.76 0.15 -4.96 115.29 120.47 1ru9 s HIS 172 Ca 0.07 -1.42 -0.07 0.00 -0.15 0.00 0.00 55.06 53.49 1ru9 s HIS 172 Cb -0.12 -1.42 -0.01 0.00 1.11 0.00 0.00 32.58 32.14 1ru9 s HIS 172 CO 0.02 -0.73 0.08 0.99 -0.85 0.00 0.00 174.74 174.25 1ru9 s THR 173 N 1.61 4.18 0.49 1.30 2.01 -1.26 0.07 115.64 124.04 1ru9 s THR 173 Ca -0.01 -0.40 -0.04 0.00 0.31 0.00 0.00 61.69 61.54 1ru9 s THR 173 Cb -0.18 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 1ru9 s THR 173 CO -0.10 0.22 0.78 -0.36 -0.69 0.00 0.00 174.62 174.47 1ru9 s PHE 174 N 1.57 3.47 0.54 4.92 0.40 -0.70 -5.01 117.98 123.16 1ru9 s PHE 174 Ca 0.05 0.70 -0.20 0.00 -0.60 0.00 0.00 56.93 56.88 1ru9 s PHE 174 Cb -0.16 -2.36 -0.06 0.00 0.51 0.00 0.00 43.02 40.95 1ru9 s PHE 174 CO 0.03 -0.37 1.16 -2.14 0.70 0.00 0.00 175.22 174.60 1ru9 s PRO 175 N -4.75 3.34 0.44 0.24 0.02 -1.26 -4.49 135.00 128.54 1ru9 s PRO 175 Ca 0.48 1.70 -0.21 0.00 0.02 0.00 0.00 61.00 62.99 1ru9 s PRO 175 Cb -0.10 -2.07 -0.10 0.00 0.02 0.00 0.00 34.50 32.25 1ru9 s PRO 175 CO 0.44 -0.88 0.98 0.00 -0.33 0.00 0.00 177.00 177.21 1ru9 s ALA 176 N -1.68 3.00 -0.10 -1.55 0.00 -1.26 -4.79 121.76 115.38 1ru9 s ALA 176 Ca 0.72 0.49 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1ru9 s ALA 176 Cb -0.27 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1ru9 s ALA 176 CO 0.30 -0.03 -0.09 0.08 0.00 0.00 0.00 175.76 176.02 1ru9 s VAL 177 N -2.05 3.51 -0.12 0.00 1.01 -0.15 -4.91 120.40 117.70 1ru9 s VAL 177 Ca 0.63 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 1ru9 s VAL 177 Cb -0.13 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1ru9 s VAL 177 CO 0.17 0.56 0.09 -0.22 0.00 0.00 0.00 175.10 175.70 1ru9 s LEU 178 N -0.30 4.09 -0.26 3.92 2.96 -1.26 -1.80 118.68 126.02 1ru9 s LEU 178 Ca 0.04 0.33 -0.11 0.00 -0.22 0.00 0.00 54.13 54.16 1ru9 s LEU 178 Cb -0.13 -1.98 0.10 0.00 0.50 0.00 0.00 46.19 44.68 1ru9 s LEU 178 CO 0.02 0.37 0.60 -1.58 -1.32 0.00 0.00 176.35 174.44 1ru9 s GLN 179 N -0.81 0.56 -1.23 1.98 0.74 -0.44 -4.95 119.66 115.51 1ru9 s GLN 179 Ca 0.13 1.23 -0.01 0.00 0.05 0.00 0.00 55.36 56.77 1ru9 s GLN 179 Cb -0.12 0.43 -0.00 0.00 1.10 0.00 0.00 33.01 34.42 1ru9 s GLN 179 CO 0.03 -0.19 0.88 0.43 -0.55 0.00 0.00 175.29 175.89 1ru9 n SER 180 N 4.91 -1.97 -1.95 6.67 7.64 -1.26 -1.96 113.62 125.70 1ru9 n SER 180 Ca -0.16 -0.71 -0.15 0.00 1.01 0.00 0.00 58.87 58.87 1ru9 n SER 180 Cb 0.53 -4.69 -0.03 0.00 -1.01 0.00 0.00 64.21 59.00 1ru9 n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ru9 n ASP 183 N -3.10 -4.29 -3.95 6.43 8.00 -1.26 -4.95 116.55 113.44 1ru9 n ASP 183 Ca -0.28 0.24 -0.16 0.00 0.71 0.00 0.00 54.79 55.30 1ru9 n ASP 183 Cb 0.67 -3.76 -0.15 0.00 -0.02 0.00 0.00 41.12 37.87 1ru9 n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ru9 s LEU 184 N -4.92 1.90 0.13 0.64 1.43 -0.83 -4.71 118.68 112.33 1ru9 s LEU 184 Ca 0.00 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1ru9 s LEU 184 Cb 0.00 -0.29 -0.04 0.00 0.03 0.00 0.00 46.19 45.89 1ru9 s LEU 184 CO 0.00 0.05 0.26 -0.31 0.23 0.00 0.00 176.35 176.58 1ru9 s TYR 185 N 0.04 3.47 -0.03 0.29 2.02 0.22 -1.32 117.35 122.03 1ru9 s TYR 185 Ca 0.00 0.13 -0.01 0.00 -0.37 0.00 0.00 57.07 56.82 1ru9 s TYR 185 Cb -0.04 -1.67 0.03 0.00 -0.40 0.00 0.00 41.96 39.88 1ru9 s TYR 185 CO -0.00 0.53 0.07 0.99 -1.57 0.00 0.00 175.55 175.56 1ru9 s THR 186 N -1.70 -0.04 0.03 -0.71 2.01 -0.75 -1.12 115.64 113.36 1ru9 s THR 186 Ca 0.34 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.51 1ru9 s THR 186 Cb -0.11 -0.13 -0.02 0.00 0.01 0.00 0.00 72.50 72.25 1ru9 s THR 186 CO 0.28 0.07 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.01 1ru9 s LEU 187 N 0.88 2.24 0.15 4.42 0.20 0.31 -0.97 118.68 125.91 1ru9 s LEU 187 Ca -0.07 -0.51 0.05 0.00 0.69 0.00 0.00 54.13 54.29 1ru9 s LEU 187 Cb -0.10 0.04 -0.04 0.00 -0.43 0.00 0.00 46.19 45.65 1ru9 s LEU 187 CO -0.03 -0.28 -0.11 -0.94 -0.29 0.00 0.00 176.35 174.70 1ru9 s SER 188 N -1.49 1.87 -0.07 3.68 1.04 -1.26 0.08 113.70 117.55 1ru9 s SER 188 Ca -0.15 -0.99 -0.10 0.00 0.48 0.00 0.00 55.95 55.19 1ru9 s SER 188 Cb -0.10 -0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.02 1ru9 s SER 188 CO -0.01 -0.30 0.25 -0.55 0.98 0.00 0.00 173.24 173.61 1ru9 s SER 189 N -3.11 -0.22 0.12 7.02 0.15 -0.49 -1.72 113.70 115.44 1ru9 s SER 189 Ca 0.16 0.37 0.08 0.00 0.70 0.00 0.00 55.95 57.26 1ru9 s SER 189 Cb 0.02 0.46 -0.04 0.00 -1.71 0.00 0.00 66.02 64.75 1ru9 s SER 189 CO 0.01 -0.18 -0.20 -0.94 1.20 0.00 0.00 173.24 173.14 1ru9 s SER 190 N -0.27 2.54 -0.01 5.45 1.04 0.11 -0.95 113.70 121.61 1ru9 s SER 190 Ca -0.04 -0.74 -0.00 0.00 0.48 0.00 0.00 55.95 55.65 1ru9 s SER 190 Cb -0.03 -0.14 0.01 0.00 0.10 0.00 0.00 66.02 65.96 1ru9 s SER 190 CO 0.01 0.02 0.02 0.54 0.98 0.00 0.00 173.24 174.81 1ru9 s VAL 191 N -1.46 -0.03 -0.13 5.02 0.11 -0.05 0.32 120.40 124.19 1ru9 s VAL 191 Ca 0.09 0.10 0.02 0.00 -2.93 0.00 0.00 61.98 59.26 1ru9 s VAL 191 Cb -0.09 -0.05 -0.00 0.00 -1.53 0.00 0.00 36.38 34.72 1ru9 s VAL 191 CO 0.05 0.04 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.79 1ru9 s THR 192 N 0.51 2.50 0.24 5.04 2.01 0.45 -1.11 115.64 125.27 1ru9 s THR 192 Ca -0.04 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.14 1ru9 s THR 192 Cb -0.06 -2.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.38 1ru9 s THR 192 CO -0.01 0.53 0.02 0.68 -0.69 0.00 0.00 174.62 175.15 1ru9 s VAL 193 N 0.58 0.94 0.11 3.82 -7.23 -0.83 -4.62 120.40 113.17 1ru9 s VAL 193 Ca -0.11 -2.02 -0.31 0.00 -1.81 0.00 0.00 61.98 57.73 1ru9 s VAL 193 Cb -0.16 -2.40 -0.09 0.00 0.56 0.00 0.00 36.38 34.29 1ru9 s VAL 193 CO 0.04 -0.27 1.66 -0.89 -0.31 0.00 0.00 175.10 175.33 1ru9 s THR 194 N -3.49 2.79 0.38 5.32 2.01 -1.26 -1.53 115.64 119.86 1ru9 s THR 194 Ca 0.30 0.38 0.13 0.00 0.31 0.00 0.00 61.69 62.81 1ru9 s THR 194 Cb 0.06 -3.24 0.35 0.00 0.01 0.00 0.00 72.50 69.68 1ru9 s THR 194 CO 0.09 0.01 1.85 -1.28 -0.69 0.00 0.00 174.62 174.60 1ru9 h SER 195 N 7.88 0.55 0.69 3.53 0.87 -1.08 -0.81 113.55 125.17 1ru9 h SER 195 Ca -0.43 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1ru9 h SER 195 Cb 1.20 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1ru9 h SER 195 CO 0.93 0.23 0.00 0.77 -0.53 0.00 0.00 176.83 178.23 1ru9 h SER 196 N 0.56 0.00 0.60 6.23 4.64 -1.87 -2.26 113.55 121.45 1ru9 h SER 196 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1ru9 h SER 196 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1ru9 h SER 196 CO -0.22 0.00 -0.27 0.35 -0.87 0.00 0.00 176.83 175.82 1ru9 n THR 198 N -2.64 0.00 -5.10 2.95 -2.24 -0.31 -4.74 114.28 102.21 1ru9 n THR 198 Ca 0.01 -0.02 -0.32 0.00 -2.27 0.00 0.00 64.05 61.45 1ru9 n THR 198 Cb 0.22 -0.02 -0.15 0.00 -2.10 0.00 0.00 70.33 68.29 1ru9 n THR 198 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1ru9 s TRP 199 N -2.87 2.52 -1.91 4.78 -0.00 -0.85 -0.14 118.94 120.47 1ru9 s TRP 199 Ca 0.16 -0.32 0.09 0.00 -0.00 0.00 0.00 56.10 56.02 1ru9 s TRP 199 Cb 0.18 -1.57 0.26 0.00 -0.00 0.00 0.00 33.47 32.34 1ru9 s TRP 199 CO 0.60 0.06 1.20 -0.35 -0.00 0.00 0.00 176.95 178.45 1ru9 n PRO 200 N 2.42 1.73 -0.13 5.86 -0.04 -1.26 -4.94 135.00 138.64 1ru9 n PRO 200 Ca -0.17 -1.05 -0.08 0.00 -0.04 0.00 0.00 63.50 62.16 1ru9 n PRO 200 Cb 0.52 -1.27 -0.02 0.00 -0.04 0.00 0.00 33.50 32.69 1ru9 n PRO 200 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1ru9 h SER 202 N 1.68 -1.15 -3.49 3.54 0.02 -1.81 -3.30 113.55 109.03 1ru9 h SER 202 Ca 0.00 0.20 -0.67 0.00 -0.84 0.00 0.00 61.79 60.48 1ru9 h SER 202 Cb 0.44 0.54 -0.17 0.00 0.14 0.00 0.00 62.40 63.35 1ru9 h SER 202 CO 0.01 -0.33 0.03 -1.10 -1.14 0.00 0.00 176.83 174.31 1ru9 s GLN 203 N -5.97 3.20 0.72 3.45 -0.21 0.80 -5.05 119.66 116.60 1ru9 s GLN 203 Ca -0.15 -0.58 -0.15 0.00 0.02 0.00 0.00 55.36 54.50 1ru9 s GLN 203 Cb 0.13 -3.99 0.03 0.00 1.00 0.00 0.00 33.01 30.19 1ru9 s GLN 203 CO 0.68 -1.03 1.21 -1.54 -2.12 0.00 0.00 175.29 172.49 1ru9 s SER 204 N 2.13 4.25 -0.13 5.90 1.04 -1.25 -4.65 113.70 120.99 1ru9 s SER 204 Ca 0.18 2.36 -0.00 0.00 0.48 0.00 0.00 55.95 58.98 1ru9 s SER 204 Cb -0.16 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.39 1ru9 s SER 204 CO 0.16 -2.23 -0.10 -0.63 0.98 0.00 0.00 173.24 171.42 1ru9 s ILE 205 N -1.95 1.23 -0.05 -1.02 1.01 -1.26 -4.99 121.20 114.17 1ru9 s ILE 205 Ca 0.75 -0.42 0.06 0.00 0.00 0.00 0.00 60.65 61.04 1ru9 s ILE 205 Cb -0.29 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 1ru9 s ILE 205 CO 0.45 0.40 -0.23 -0.89 0.00 0.00 0.00 174.94 174.66 1ru9 s THR 206 N 1.63 1.91 -0.24 2.92 2.01 -1.26 -1.17 115.64 121.44 1ru9 s THR 206 Ca 0.05 -1.00 -0.18 0.00 0.31 0.00 0.00 61.69 60.88 1ru9 s THR 206 Cb -0.13 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1ru9 s THR 206 CO -0.09 0.54 0.51 0.00 -0.69 0.00 0.00 174.62 174.88 1ru9 s ASN 209 N 1.41 5.45 -0.08 0.00 -0.87 0.04 -1.39 114.94 119.51 1ru9 s ASN 209 Ca 0.22 -1.06 0.03 0.00 -1.57 0.00 0.00 52.86 50.47 1ru9 s ASN 209 Cb -0.16 -1.92 -0.02 0.00 -0.02 0.00 0.00 41.25 39.13 1ru9 s ASN 209 CO 0.09 -0.34 -0.15 -0.69 -2.57 0.00 0.00 177.10 173.44 1ru9 s VAL 210 N 1.46 2.93 -0.02 1.60 1.01 0.38 -1.77 120.40 125.98 1ru9 s VAL 210 Ca -0.00 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1ru9 s VAL 210 Cb -0.19 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 1ru9 s VAL 210 CO 0.04 0.57 -0.11 0.00 0.00 0.00 0.00 175.10 175.60 1ru9 s ALA 211 N -0.28 1.01 -0.48 5.51 0.00 -0.46 -0.67 121.76 126.38 1ru9 s ALA 211 Ca 0.02 -0.44 0.03 0.00 0.00 0.00 0.00 51.96 51.57 1ru9 s ALA 211 Cb -0.13 -0.34 0.14 0.00 0.00 0.00 0.00 23.12 22.80 1ru9 s ALA 211 CO 0.03 0.19 0.28 -1.58 0.00 0.00 0.00 175.76 174.68 1ru9 s HIS 212 N 0.06 2.34 0.30 0.00 2.46 -0.02 -0.91 115.29 119.51 1ru9 s HIS 212 Ca -0.01 -2.67 0.05 0.00 0.47 0.00 0.00 55.06 52.89 1ru9 s HIS 212 Cb -0.08 -2.10 0.78 0.00 -0.13 0.00 0.00 32.58 31.06 1ru9 s HIS 212 CO 0.01 -0.75 1.67 -1.35 -2.47 0.00 0.00 174.74 171.84 1ru9 h PRO 213 N 6.45 0.29 -0.59 2.88 0.11 -1.81 -1.78 132.00 137.55 1ru9 h PRO 213 Ca 0.02 -0.02 0.17 0.00 0.11 0.00 0.00 66.00 66.28 1ru9 h PRO 213 Cb 0.90 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 1ru9 h PRO 213 CO 0.54 0.19 0.42 0.00 -0.21 0.00 0.00 178.00 178.95 1ru9 h ALA 214 N 1.77 2.55 -0.14 -0.75 0.00 -1.92 -1.61 119.26 119.16 1ru9 h ALA 214 Ca 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1ru9 h ALA 214 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ru9 h ALA 214 CO -0.60 -0.72 0.00 -1.13 0.00 0.00 0.00 179.25 176.80 1ru9 n SER 215 N -4.36 2.38 -2.85 0.00 3.41 -0.72 -4.98 113.62 106.50 1ru9 n SER 215 Ca 0.11 -2.01 -0.19 0.00 -0.26 0.00 0.00 58.87 56.51 1ru9 n SER 215 Cb 0.66 -0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.52 1ru9 n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ru9 n SER 216 N -0.11 -4.79 -4.64 4.04 7.64 -0.61 -4.95 113.62 110.20 1ru9 n SER 216 Ca 0.05 -0.13 -0.34 0.00 1.01 0.00 0.00 58.87 59.46 1ru9 n SER 216 Cb 0.33 -3.96 -0.10 0.00 -1.01 0.00 0.00 64.21 59.46 1ru9 n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ru9 s THR 217 N -2.93 4.02 -0.02 0.44 2.01 -1.09 -4.99 115.64 113.08 1ru9 s THR 217 Ca 0.19 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.76 1ru9 s THR 217 Cb -0.09 -2.70 0.01 0.00 0.01 0.00 0.00 72.50 69.72 1ru9 s THR 217 CO 0.24 0.53 -0.06 -0.54 -0.69 0.00 0.00 174.62 174.10 1ru9 s LYS 218 N -1.06 0.66 -0.02 4.92 1.02 -1.26 -0.84 119.74 123.16 1ru9 s LYS 218 Ca 0.15 -0.20 0.03 0.00 0.02 0.00 0.00 55.97 55.97 1ru9 s LYS 218 Cb -0.11 -0.65 -0.00 0.00 -0.52 0.00 0.00 37.83 36.54 1ru9 s LYS 218 CO 0.04 0.07 -0.12 0.08 -0.92 0.00 0.00 175.35 174.50 1ru9 s VAL 219 N 0.24 0.98 -0.52 3.17 1.01 0.15 -5.00 120.40 120.42 1ru9 s VAL 219 Ca -0.03 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1ru9 s VAL 219 Cb -0.07 -0.85 0.15 0.00 0.00 0.00 0.00 36.38 35.61 1ru9 s VAL 219 CO -0.00 0.29 0.33 -1.81 0.00 0.00 0.00 175.10 173.91 1ru9 s ASP 220 N 0.01 3.75 -0.25 3.32 1.01 -1.26 -0.47 116.67 122.78 1ru9 s ASP 220 Ca -0.01 -3.10 -0.17 0.00 0.71 0.00 0.00 52.55 49.98 1ru9 s ASP 220 Cb -0.08 -1.21 -0.03 0.00 1.01 0.00 0.00 42.92 42.61 1ru9 s ASP 220 CO 0.00 -0.20 0.48 -0.75 0.21 0.00 0.00 175.17 174.92 1ru9 s LYS 221 N -0.30 4.09 0.08 8.23 2.47 -0.49 -4.88 119.74 128.94 1ru9 s LYS 221 Ca 0.22 0.28 -0.23 0.00 -1.56 0.00 0.00 55.97 54.68 1ru9 s LYS 221 Cb -0.15 -3.63 -0.06 0.00 -1.46 0.00 0.00 37.83 32.53 1ru9 s LYS 221 CO -0.08 -0.28 0.70 0.21 0.16 0.00 0.00 175.35 176.06 1ru9 s LYS 222 N 2.09 4.43 -0.35 4.03 2.20 -1.26 -0.27 119.74 130.60 1ru9 s LYS 222 Ca 0.20 0.97 -0.27 0.00 -0.36 0.00 0.00 55.97 56.52 1ru9 s LYS 222 Cb -0.16 -3.30 0.01 0.00 -1.51 0.00 0.00 37.83 32.88 1ru9 s LYS 222 CO 0.09 0.46 0.97 0.42 -0.36 0.00 0.00 175.35 176.93 1ru9 s ILE 223 N -0.62 4.56 -0.09 5.43 -1.09 -0.31 -4.97 121.20 124.11 1ru9 s ILE 223 Ca 0.34 1.38 -0.11 0.00 -2.23 0.00 0.00 60.65 60.03 1ru9 s ILE 223 Cb -0.21 -4.36 -0.05 0.00 -1.58 0.00 0.00 42.46 36.27 1ru9 s ILE 223 CO 0.22 -0.51 0.26 -1.61 -1.23 0.00 0.00 174.94 172.07 1ru9 s GLU 226 N 3.54 3.78 0.55 2.79 0.41 -1.26 -4.68 118.70 123.82 1ru9 s GLU 226 Ca 0.41 0.09 -0.21 0.00 -0.41 0.00 0.00 54.97 54.85 1ru9 s GLU 226 Cb -0.12 -3.25 -0.05 0.00 -1.78 0.00 0.00 34.13 28.93 1ru9 s GLU 226 CO 0.18 0.64 1.27 -2.14 -0.49 0.00 0.00 175.26 174.71 1ru9 s PRO 227 N -0.73 3.19 0.45 0.39 0.02 -1.26 -4.72 135.00 132.34 1ru9 s PRO 227 Ca 0.18 2.01 -0.23 0.00 0.02 0.00 0.00 61.00 62.98 1ru9 s PRO 227 Cb -0.14 -2.17 -0.08 0.00 0.02 0.00 0.00 34.50 32.13 1ru9 s PRO 227 CO 0.07 -1.08 1.16 1.03 -0.33 0.00 0.00 177.00 177.85 1ru9 s ARG 228 N -3.00 3.80 0.41 5.54 0.52 -1.26 -4.72 118.95 120.23 1ru9 s ARG 228 Ca 0.72 1.76 0.00 0.00 -0.52 0.00 0.00 55.73 57.69 1ru9 s ARG 228 Cb -0.35 -2.43 0.00 0.00 0.52 0.00 0.00 34.95 32.70 1ru9 s ARG 228 CO 0.40 -0.52 0.00 0.41 0.02 0.00 0.00 175.30 175.62 1ru9 n GLY 229 N 0.44 -1.80 3.64 -3.53 0.00 -1.26 -4.95 105.19 97.74 1ru9 n GLY 229 Ca 0.07 -1.84 -0.46 0.00 0.00 0.00 0.00 46.02 43.80 1ru9 n GLY 229 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ru9 n PRO 230 N 0.00 1.78 0.00 1.61 -0.02 -1.26 -5.18 135.00 131.93 1ru9 n PRO 230 Ca 0.00 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1ru9 n PRO 230 Cb 0.00 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 1ru9 n PRO 230 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73