#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 3.34 -0.25 2.53 1.01 -1.26 -4.99 120.40 120.79 1ru9 s VAL 2 Ca 0.00 0.95 -0.13 0.00 0.00 0.00 0.00 61.98 62.80 1ru9 s VAL 2 Cb 0.00 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1ru9 s VAL 2 CO 0.00 0.07 0.30 -0.69 0.00 0.00 0.00 175.10 174.78 1ru9 s VAL 3 N 1.19 5.25 -0.35 2.92 1.01 -1.26 -4.75 120.40 124.40 1ru9 s VAL 3 Ca 0.64 0.44 -0.12 0.00 0.00 0.00 0.00 61.98 62.95 1ru9 s VAL 3 Cb -0.36 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.38 1ru9 s VAL 3 CO 0.30 0.24 0.22 -0.04 0.00 0.00 0.00 175.10 175.82 1ru9 s MET 4 N 1.59 3.28 -0.23 2.72 -1.94 -1.26 -1.80 119.30 121.66 1ru9 s MET 4 Ca 0.13 -0.79 -0.06 0.00 -1.71 0.00 0.00 55.69 53.26 1ru9 s MET 4 Cb -0.15 -3.76 -0.02 0.00 2.01 0.00 0.00 34.83 32.91 1ru9 s MET 4 CO 0.08 -0.52 0.02 0.99 -0.01 0.00 0.00 175.02 175.58 1ru9 s THR 5 N 1.66 3.98 0.13 2.05 2.01 -0.24 -4.00 115.64 121.23 1ru9 s THR 5 Ca 0.05 -0.29 0.04 0.00 0.31 0.00 0.00 61.69 61.80 1ru9 s THR 5 Cb -0.18 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 1ru9 s THR 5 CO 0.09 0.38 0.13 -1.10 -0.69 0.00 0.00 174.62 173.43 1ru9 s GLN 6 N 1.41 2.96 -0.22 4.92 -0.21 -1.26 -0.83 119.66 126.43 1ru9 s GLN 6 Ca 0.05 -0.77 -0.27 0.00 0.02 0.00 0.00 55.36 54.40 1ru9 s GLN 6 Cb -0.15 -2.72 0.10 0.00 1.00 0.00 0.00 33.01 31.24 1ru9 s GLN 6 CO 0.01 0.52 0.85 -1.54 -2.12 0.00 0.00 175.29 173.02 1ru9 s SER 7 N -2.83 -0.58 0.95 5.90 1.04 -0.94 -4.63 113.70 112.61 1ru9 s SER 7 Ca 0.31 0.97 -0.13 0.00 0.48 0.00 0.00 55.95 57.58 1ru9 s SER 7 Cb -0.11 0.93 0.16 0.00 0.10 0.00 0.00 66.02 67.10 1ru9 s SER 7 CO 0.23 -0.30 1.13 -2.16 0.98 0.00 0.00 173.24 173.12 1ru9 s PRO 8 N -0.19 0.79 0.11 4.02 0.04 -1.26 -1.19 135.00 137.32 1ru9 s PRO 8 Ca -0.01 0.31 -0.12 0.00 0.04 0.00 0.00 61.00 61.21 1ru9 s PRO 8 Cb -0.03 -1.80 -0.12 0.00 0.04 0.00 0.00 34.50 32.59 1ru9 s PRO 8 CO 0.01 -2.44 1.36 0.87 0.04 0.00 0.00 177.00 176.84 1ru9 h LYS 9 N -1.68 0.84 -5.02 4.56 1.57 -1.85 -3.42 116.57 111.58 1ru9 h LYS 9 Ca -0.51 -0.59 -0.37 0.00 -1.87 0.00 0.00 60.65 57.30 1ru9 h LYS 9 Cb 1.33 0.09 -0.14 0.00 0.08 0.00 0.00 32.23 33.59 1ru9 h LYS 9 CO 0.59 1.21 -0.64 0.95 -0.57 0.00 0.00 179.45 180.99 1ru9 s THR 10 N -3.99 0.91 -0.29 -0.16 -4.23 -1.26 -0.95 115.64 105.67 1ru9 s THR 10 Ca -0.11 -2.02 -0.17 0.00 -1.18 0.00 0.00 61.69 58.22 1ru9 s THR 10 Cb 0.09 -2.42 0.12 0.00 1.34 0.00 0.00 72.50 71.63 1ru9 s THR 10 CO 0.89 -0.24 0.89 -0.51 -0.54 0.00 0.00 174.62 175.11 1ru9 s ILE 11 N -3.51 0.00 -0.18 2.99 2.07 -0.34 -4.87 121.20 117.37 1ru9 s ILE 11 Ca 0.31 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.51 1ru9 s ILE 11 Cb 0.06 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.63 1ru9 s ILE 11 CO 0.10 0.00 -0.03 -0.55 -1.91 0.00 0.00 174.94 172.55 1ru9 s SER 12 N 1.30 4.68 -0.02 4.50 0.15 -1.26 0.29 113.70 123.34 1ru9 s SER 12 Ca -0.08 -0.20 0.01 0.00 0.70 0.00 0.00 55.95 56.38 1ru9 s SER 12 Cb -0.04 -1.78 0.01 0.00 -1.71 0.00 0.00 66.02 62.50 1ru9 s SER 12 CO -0.15 0.11 -0.05 -0.69 1.20 0.00 0.00 173.24 173.66 1ru9 s VAL 13 N 0.72 0.46 0.16 4.45 1.01 -0.03 -4.87 120.40 122.30 1ru9 s VAL 13 Ca -0.02 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 1ru9 s VAL 13 Cb -0.14 -0.43 -0.07 0.00 0.00 0.00 0.00 36.38 35.73 1ru9 s VAL 13 CO 0.02 0.16 1.05 -0.89 0.00 0.00 0.00 175.10 175.44 1ru9 s THR 14 N 0.30 4.08 0.22 3.92 2.01 -1.26 -1.20 115.64 123.71 1ru9 s THR 14 Ca -0.03 1.79 -0.31 0.00 0.31 0.00 0.00 61.69 63.45 1ru9 s THR 14 Cb -0.07 -4.14 -0.15 0.00 0.01 0.00 0.00 72.50 68.15 1ru9 s THR 14 CO -0.00 0.31 1.15 -0.38 -0.69 0.00 0.00 174.62 175.01 1ru9 n ILE 15 N 2.44 1.25 0.00 1.82 5.41 -1.26 -1.21 119.36 127.81 1ru9 n ILE 15 Ca 0.02 -0.31 0.00 0.00 1.00 0.00 0.00 62.75 63.46 1ru9 n ILE 15 Cb 0.47 -0.99 0.00 0.00 -0.71 0.00 0.00 39.64 38.41 1ru9 n ILE 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ru9 n GLY 16 N 1.79 2.98 3.84 7.39 0.00 0.00 -4.93 105.19 116.26 1ru9 n GLY 16 Ca 0.13 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1ru9 n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ru9 s GLN 17 N 0.00 2.45 0.51 1.61 -1.52 -0.35 -4.28 119.66 118.09 1ru9 s GLN 17 Ca 0.00 0.58 -0.07 0.00 -1.95 0.00 0.00 55.36 53.93 1ru9 s GLN 17 Cb 0.00 -1.96 -0.04 0.00 -0.22 0.00 0.00 33.01 30.79 1ru9 s GLN 17 CO 0.00 -1.35 0.84 -1.25 -0.25 0.00 0.00 175.29 173.28 1ru9 s PRO 18 N -5.23 3.56 0.00 2.91 0.04 -1.23 -0.52 135.00 134.54 1ru9 s PRO 18 Ca 0.60 0.33 0.01 0.00 0.04 0.00 0.00 61.00 61.97 1ru9 s PRO 18 Cb -0.13 -2.31 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 1ru9 s PRO 18 CO 0.53 -0.28 -0.02 0.00 0.04 0.00 0.00 177.00 177.26 1ru9 s ALA 19 N -2.83 0.17 -0.05 8.56 0.00 -0.61 -4.91 121.76 122.08 1ru9 s ALA 19 Ca 0.49 -0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.25 1ru9 s ALA 19 Cb -0.10 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.04 1ru9 s ALA 19 CO 0.47 0.01 0.10 0.45 0.00 0.00 0.00 175.76 176.78 1ru9 s SER 20 N -0.32 0.58 0.10 0.00 0.15 -1.26 -0.45 113.70 112.51 1ru9 s SER 20 Ca -0.02 0.19 0.08 0.00 0.70 0.00 0.00 55.95 56.89 1ru9 s SER 20 Cb -0.02 0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.31 1ru9 s SER 20 CO -0.00 -0.21 -0.19 0.27 1.20 0.00 0.00 173.24 174.31 1ru9 s ILE 21 N 1.81 1.60 0.30 6.45 -4.36 -0.44 -4.82 121.20 121.74 1ru9 s ILE 21 Ca -0.01 -1.52 0.10 0.00 -0.26 0.00 0.00 60.65 58.97 1ru9 s ILE 21 Cb -0.12 -1.48 -0.05 0.00 1.25 0.00 0.00 42.46 42.06 1ru9 s ILE 21 CO -0.04 -0.11 -0.10 -0.55 0.24 0.00 0.00 174.94 174.38 1ru9 s SER 22 N -1.92 3.91 -0.18 4.36 0.15 -0.33 -0.99 113.70 118.70 1ru9 s SER 22 Ca 0.05 -0.98 -0.06 0.00 0.70 0.00 0.00 55.95 55.66 1ru9 s SER 22 Cb -0.10 -0.46 0.08 0.00 -1.71 0.00 0.00 66.02 63.84 1ru9 s SER 22 CO 0.04 -0.07 0.37 0.00 1.20 0.00 0.00 173.24 174.78 1ru9 s LYS 24 N 2.49 2.81 0.12 0.00 1.02 -0.01 -0.69 119.74 125.48 1ru9 s LYS 24 Ca -0.01 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1ru9 s LYS 24 Cb -0.12 -2.21 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 1ru9 s LYS 24 CO -0.11 0.08 0.29 -1.54 -0.92 0.00 0.00 175.35 173.14 1ru9 s SER 25 N 0.60 6.37 0.00 2.83 1.04 0.12 -1.08 113.70 123.58 1ru9 s SER 25 Ca -0.13 0.30 0.23 0.00 0.48 0.00 0.00 55.95 56.83 1ru9 s SER 25 Cb -0.17 -1.97 1.13 0.00 0.10 0.00 0.00 66.02 65.11 1ru9 s SER 25 CO 0.04 0.08 1.76 -1.54 0.98 0.00 0.00 173.24 174.55 1ru9 n SER 26 N -0.18 0.00 -3.85 7.02 3.41 -0.75 -4.75 113.62 114.51 1ru9 n SER 26 Ca -0.05 0.08 -0.11 0.00 -0.26 0.00 0.00 58.87 58.53 1ru9 n SER 26 Cb 0.53 -0.34 -0.10 0.00 -0.26 0.00 0.00 64.21 64.03 1ru9 n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ru9 s GLN 27 N -2.67 0.42 0.00 4.33 -0.21 -1.26 -4.95 119.66 115.31 1ru9 s GLN 27 Ca 0.19 -0.24 0.00 0.00 0.02 0.00 0.00 55.36 55.33 1ru9 s GLN 27 Cb 0.15 0.18 0.00 0.00 1.00 0.00 0.00 33.01 34.34 1ru9 s GLN 27 CO 0.37 -0.09 0.00 0.54 -2.12 0.00 0.00 175.29 173.98 1ru9 n ARG 27 N 1.83 0.17 -1.69 2.91 1.74 -1.26 -4.74 116.66 115.63 1ru9 n ARG 27 Ca -0.20 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 1ru9 n ARG 27 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 1ru9 n ARG 27 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1ru9 n LEU 27 N 0.00 -2.80 0.00 0.55 7.94 -1.26 -4.96 117.00 116.47 1ru9 n LEU 27 Ca 0.00 2.92 -0.05 0.00 -1.11 0.00 0.00 56.01 57.77 1ru9 n LEU 27 Cb 0.00 -3.10 0.01 0.00 0.53 0.00 0.00 43.42 40.86 1ru9 n LEU 27 CO 0.00 0.21 0.07 -0.46 -1.11 0.00 0.00 177.39 176.10 1ru9 n ASN 27 N -0.59 0.67 0.00 1.96 6.94 0.67 -5.00 115.26 119.91 1ru9 n ASN 27 Ca 0.00 -1.37 0.13 0.00 -0.02 0.00 0.00 54.58 53.33 1ru9 n ASN 27 Cb 0.00 -0.08 0.74 0.00 -2.36 0.00 0.00 39.78 38.08 1ru9 n ASN 27 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1ru9 n SER 27 N -2.67 0.00 -0.18 0.53 7.64 -1.26 -3.18 113.62 114.50 1ru9 n SER 27 Ca 0.03 -0.44 0.04 0.00 1.01 0.00 0.00 58.87 59.51 1ru9 n SER 27 Cb 0.14 -0.16 0.08 0.00 -1.01 0.00 0.00 64.21 63.26 1ru9 n SER 27 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ru9 n ASN 28 N -1.16 2.37 0.00 6.43 5.03 -1.26 -4.98 115.26 121.69 1ru9 n ASN 28 Ca 0.16 -2.38 0.00 0.00 0.87 0.00 0.00 54.58 53.23 1ru9 n ASN 28 Cb 0.16 -0.19 0.00 0.00 -1.02 0.00 0.00 39.78 38.73 1ru9 n ASN 28 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ru9 n GLY 29 N -0.62 0.80 3.90 7.41 0.00 -1.19 -5.05 105.19 110.44 1ru9 n GLY 29 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1ru9 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ru9 s LYS 30 N -0.29 3.58 -0.26 1.61 1.02 -1.26 -4.85 119.74 119.28 1ru9 s LYS 30 Ca 0.00 -0.17 0.03 0.00 0.02 0.00 0.00 55.97 55.85 1ru9 s LYS 30 Cb 0.00 -2.88 0.06 0.00 -0.52 0.00 0.00 37.83 34.49 1ru9 s LYS 30 CO 0.00 0.49 -0.10 0.99 -0.92 0.00 0.00 175.35 175.81 1ru9 s THR 31 N -1.64 2.06 -1.48 2.17 2.01 -1.26 -0.23 115.64 117.26 1ru9 s THR 31 Ca 0.40 -1.58 -0.12 0.00 0.31 0.00 0.00 61.69 60.70 1ru9 s THR 31 Cb -0.12 -2.20 0.02 0.00 0.01 0.00 0.00 72.50 70.21 1ru9 s THR 31 CO 0.25 -0.05 2.39 0.49 -0.69 0.00 0.00 174.62 177.01 1ru9 n PHE 32 N 4.47 3.17 -4.42 4.92 3.72 -1.26 -2.84 117.46 125.21 1ru9 n PHE 32 Ca -0.13 -2.99 -0.33 0.00 -0.05 0.00 0.00 57.45 53.95 1ru9 n PHE 32 Cb 0.42 -2.46 -0.16 0.00 -0.94 0.00 0.00 39.48 36.34 1ru9 n PHE 32 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1ru9 s LEU 33 N 1.32 2.23 0.26 4.37 1.98 -1.26 -1.67 118.68 125.92 1ru9 s LEU 33 Ca 0.52 -0.58 0.11 0.00 -2.89 0.00 0.00 54.13 51.30 1ru9 s LEU 33 Cb 0.15 -1.50 -0.05 0.00 0.66 0.00 0.00 46.19 45.45 1ru9 s LEU 33 CO -0.07 0.05 -0.15 0.20 -1.89 0.00 0.00 176.35 174.48 1ru9 s ASN 34 N 1.01 3.82 -0.06 3.68 -0.87 -0.41 -0.61 114.94 121.50 1ru9 s ASN 34 Ca -0.02 -0.90 0.03 0.00 -1.57 0.00 0.00 52.86 50.40 1ru9 s ASN 34 Cb -0.15 -0.44 0.01 0.00 -0.02 0.00 0.00 41.25 40.65 1ru9 s ASN 34 CO -0.05 0.04 -0.16 0.26 -2.57 0.00 0.00 177.10 174.62 1ru9 s TRP 35 N -2.34 1.75 0.08 2.20 0.52 0.36 -1.64 118.94 119.87 1ru9 s TRP 35 Ca 0.29 -0.62 0.05 0.00 0.02 0.00 0.00 56.10 55.84 1ru9 s TRP 35 Cb -0.06 -1.22 -0.03 0.00 -1.15 0.00 0.00 33.47 31.01 1ru9 s TRP 35 CO 0.16 -0.27 -0.14 -0.51 0.02 0.00 0.00 176.95 176.20 1ru9 s LEU 36 N 0.40 2.30 -0.08 2.99 1.02 0.42 -1.79 118.68 123.93 1ru9 s LEU 36 Ca -0.12 -0.65 0.05 0.00 0.02 0.00 0.00 54.13 53.43 1ru9 s LEU 36 Cb -0.15 -0.52 -0.01 0.00 0.02 0.00 0.00 46.19 45.53 1ru9 s LEU 36 CO 0.04 -0.09 -0.24 -0.22 0.02 0.00 0.00 176.35 175.87 1ru9 s LEU 37 N -1.85 2.12 -0.30 1.79 2.96 -0.60 -0.38 118.68 122.42 1ru9 s LEU 37 Ca -0.00 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1ru9 s LEU 37 Cb -0.09 -1.41 0.08 0.00 0.50 0.00 0.00 46.19 45.27 1ru9 s LEU 37 CO 0.02 0.20 -0.02 -1.58 -1.32 0.00 0.00 176.35 173.65 1ru9 s GLN 38 N 0.12 1.91 0.57 1.98 0.74 0.17 -1.17 119.66 123.98 1ru9 s GLN 38 Ca -0.12 -1.60 -0.16 0.00 0.05 0.00 0.00 55.36 53.53 1ru9 s GLN 38 Cb -0.16 -3.08 -0.05 0.00 1.10 0.00 0.00 33.01 30.82 1ru9 s GLN 38 CO 0.07 -0.76 1.04 1.03 -0.55 0.00 0.00 175.29 176.12 1ru9 s ARG 39 N 1.03 3.46 -0.21 1.67 0.52 -1.26 -1.47 118.95 122.69 1ru9 s ARG 39 Ca 0.01 1.18 -0.38 0.00 -0.52 0.00 0.00 55.73 56.01 1ru9 s ARG 39 Cb -0.20 -2.05 -0.15 0.00 0.52 0.00 0.00 34.95 33.07 1ru9 s ARG 39 CO -0.06 -0.69 1.76 -2.30 0.02 0.00 0.00 175.30 174.02 1ru9 n PRO 40 N -1.86 1.42 -0.84 3.54 -0.02 -1.26 -1.21 135.00 134.77 1ru9 n PRO 40 Ca 0.08 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1ru9 n PRO 40 Cb 0.53 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1ru9 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ru9 n GLY 41 N 4.15 1.24 3.92 -1.23 0.00 -1.26 -5.02 105.19 106.99 1ru9 n GLY 41 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 1ru9 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ru9 s GLN 42 N -0.03 2.43 0.13 1.61 -0.21 -0.35 -5.12 119.66 118.12 1ru9 s GLN 42 Ca 0.00 -1.68 -0.07 0.00 0.02 0.00 0.00 55.36 53.64 1ru9 s GLN 42 Cb 0.00 -2.38 -0.06 0.00 1.00 0.00 0.00 33.01 31.58 1ru9 s GLN 42 CO 0.00 -0.45 0.40 -1.54 -2.12 0.00 0.00 175.29 171.57 1ru9 s SER 43 N -4.29 6.55 0.56 5.90 1.04 -1.26 -4.67 113.70 117.52 1ru9 s SER 43 Ca 0.47 0.68 -0.18 0.00 0.48 0.00 0.00 55.95 57.40 1ru9 s SER 43 Cb -0.04 -2.13 -0.10 0.00 0.10 0.00 0.00 66.02 63.85 1ru9 s SER 43 CO 0.28 0.08 0.34 -2.65 0.98 0.00 0.00 173.24 172.27 1ru9 n PRO 44 N 0.33 0.36 -4.05 4.02 -0.02 -1.26 -4.72 135.00 129.65 1ru9 n PRO 44 Ca -0.04 0.14 -0.12 0.00 -2.02 0.00 0.00 63.50 61.46 1ru9 n PRO 44 Cb 0.52 -1.51 -0.11 0.00 -0.02 0.00 0.00 33.50 32.37 1ru9 n PRO 44 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1ru9 s LYS 45 N -1.82 0.49 0.66 -0.52 1.02 -0.31 -4.95 119.74 114.30 1ru9 s LYS 45 Ca 0.65 -0.72 -0.17 0.00 0.02 0.00 0.00 55.97 55.75 1ru9 s LYS 45 Cb -0.45 -0.23 -0.00 0.00 -0.52 0.00 0.00 37.83 36.62 1ru9 s LYS 45 CO 0.58 0.04 1.24 -0.98 -0.92 0.00 0.00 175.35 175.31 1ru9 s ARG 46 N -1.53 2.53 0.13 1.68 1.70 -1.26 -1.55 118.95 120.65 1ru9 s ARG 46 Ca -0.11 1.90 0.00 0.00 -0.47 0.00 0.00 55.73 57.05 1ru9 s ARG 46 Cb -0.10 -1.86 0.00 0.00 -0.57 0.00 0.00 34.95 32.42 1ru9 s ARG 46 CO 0.00 -1.57 0.00 1.28 -1.08 0.00 0.00 175.30 173.93 1ru9 n LEU 47 N -2.09 -0.24 -4.14 -1.89 4.77 -0.74 -4.77 117.00 107.89 1ru9 n LEU 47 Ca 0.14 0.23 -0.23 0.00 -0.03 0.00 0.00 56.01 56.13 1ru9 n LEU 47 Cb 0.49 0.35 -0.15 0.00 -2.33 0.00 0.00 43.42 41.78 1ru9 n LEU 47 CO 0.46 -0.58 -0.48 -0.63 -1.33 0.00 0.00 177.39 174.83 1ru9 s ILE 48 N -1.42 1.22 0.20 -0.08 -1.09 -1.10 -1.06 121.20 117.88 1ru9 s ILE 48 Ca 0.00 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 1ru9 s ILE 48 Cb 0.00 -1.03 -0.04 0.00 -1.58 0.00 0.00 42.46 39.80 1ru9 s ILE 48 CO 0.00 0.28 0.08 -0.72 -1.23 0.00 0.00 174.94 173.35 1ru9 s TYR 49 N -0.46 1.23 -1.33 3.97 1.13 0.11 -0.48 117.35 121.52 1ru9 s TYR 49 Ca 0.05 -1.23 -0.04 0.00 -1.41 0.00 0.00 57.07 54.45 1ru9 s TYR 49 Cb -0.06 -0.68 0.02 0.00 -1.10 0.00 0.00 41.96 40.14 1ru9 s TYR 49 CO -0.00 -0.45 0.27 1.28 -2.51 0.00 0.00 175.55 174.14 1ru9 n LEU 50 N -0.30 -1.71 0.00 -3.49 4.77 -1.11 -1.67 117.00 113.50 1ru9 n LEU 50 Ca -0.01 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1ru9 n LEU 50 Cb 0.65 -2.43 0.00 0.00 -2.33 0.00 0.00 43.42 39.31 1ru9 n LEU 50 CO 0.34 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1ru9 n GLY 51 N -1.10 0.83 0.00 -0.72 0.00 0.22 -4.00 105.19 100.42 1ru9 n GLY 51 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1ru9 n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ru9 n THR 52 N 0.00 0.32 -3.89 2.61 -2.24 -1.23 -3.69 114.28 106.15 1ru9 n THR 52 Ca 0.00 -0.54 -0.37 0.00 -2.27 0.00 0.00 64.05 60.87 1ru9 n THR 52 Cb 0.00 0.98 -0.07 0.00 -2.10 0.00 0.00 70.33 69.14 1ru9 n THR 52 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ru9 s LYS 53 N -0.32 3.53 -0.08 -0.78 2.20 -0.67 -4.58 119.74 119.04 1ru9 s LYS 53 Ca 0.00 -0.17 -0.30 0.00 -0.36 0.00 0.00 55.97 55.15 1ru9 s LYS 53 Cb 0.00 -3.20 -0.02 0.00 -1.51 0.00 0.00 37.83 33.10 1ru9 s LYS 53 CO 0.00 0.69 1.12 -1.17 -0.36 0.00 0.00 175.35 175.63 1ru9 s LEU 54 N -0.78 4.26 0.92 5.43 2.96 -1.26 -0.71 118.68 129.48 1ru9 s LEU 54 Ca 0.14 1.69 -0.12 0.00 -0.22 0.00 0.00 54.13 55.61 1ru9 s LEU 54 Cb -0.12 -3.56 0.14 0.00 0.50 0.00 0.00 46.19 43.16 1ru9 s LEU 54 CO 0.03 -0.54 1.10 -0.62 -1.32 0.00 0.00 176.35 175.00 1ru9 s ASP 55 N 1.33 3.38 -0.22 3.68 -1.08 -0.22 -4.88 116.67 118.66 1ru9 s ASP 55 Ca 0.52 1.25 -0.37 0.00 -0.52 0.00 0.00 52.55 53.43 1ru9 s ASP 55 Cb -0.22 -1.91 -0.13 0.00 -1.46 0.00 0.00 42.92 39.20 1ru9 s ASP 55 CO 0.20 -2.67 1.87 -0.24 0.52 0.00 0.00 175.17 174.85 1ru9 n SER 56 N -3.88 2.77 0.00 -0.34 2.88 -1.26 -2.03 113.62 111.76 1ru9 n SER 56 Ca 0.06 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 1ru9 n SER 56 Cb 0.57 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 1ru9 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ru9 n GLY 57 N 4.67 0.62 3.74 0.46 0.00 -1.26 -5.00 105.19 108.42 1ru9 n GLY 57 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 1ru9 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ru9 s VAL 58 N -2.84 3.50 0.62 1.61 1.01 -0.86 -4.99 120.40 118.46 1ru9 s VAL 58 Ca 0.00 1.32 -0.19 0.00 0.00 0.00 0.00 61.98 63.11 1ru9 s VAL 58 Cb 0.00 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1ru9 s VAL 58 CO 0.00 0.24 1.23 -2.65 0.00 0.00 0.00 175.10 173.92 1ru9 n PRO 59 N 2.17 1.17 -0.05 2.72 -0.02 -1.26 -4.88 135.00 134.84 1ru9 n PRO 59 Ca 0.03 0.45 0.01 0.00 -2.02 0.00 0.00 63.50 61.97 1ru9 n PRO 59 Cb 0.44 -2.46 0.04 0.00 -0.02 0.00 0.00 33.50 31.50 1ru9 n PRO 59 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ru9 n ASP 60 N -1.50 0.53 0.12 2.55 5.75 -1.26 -3.37 116.55 119.36 1ru9 n ASP 60 Ca 0.15 -2.01 0.13 0.00 -0.01 0.00 0.00 54.79 53.04 1ru9 n ASP 60 Cb 0.47 -0.09 0.44 0.00 -1.03 0.00 0.00 41.12 40.91 1ru9 n ASP 60 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ru9 n ARG 61 N -0.23 0.24 -3.39 0.11 1.74 -1.26 -4.73 116.66 109.13 1ru9 n ARG 61 Ca 0.03 0.30 -0.38 0.00 -0.77 0.00 0.00 57.85 57.03 1ru9 n ARG 61 Cb 0.09 -1.84 -0.06 0.00 -1.02 0.00 0.00 32.46 29.63 1ru9 n ARG 61 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ru9 s PHE 62 N -3.20 3.76 -0.09 -1.55 0.08 -1.22 -1.35 117.98 114.42 1ru9 s PHE 62 Ca 0.08 1.12 -0.04 0.00 0.12 0.00 0.00 56.93 58.22 1ru9 s PHE 62 Cb 0.11 -2.39 0.05 0.00 -0.57 0.00 0.00 43.02 40.22 1ru9 s PHE 62 CO 0.51 0.61 0.18 0.99 -0.10 0.00 0.00 175.22 177.41 1ru9 s THR 63 N -1.05 -0.24 -0.05 0.64 2.01 -0.50 -4.97 115.64 111.47 1ru9 s THR 63 Ca 0.26 0.30 -0.03 0.00 0.31 0.00 0.00 61.69 62.53 1ru9 s THR 63 Cb -0.18 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 1ru9 s THR 63 CO 0.16 0.13 0.12 -0.83 -0.69 0.00 0.00 174.62 173.51 1ru9 s GLY 64 N 2.07 2.09 0.28 4.40 0.00 -1.26 -0.96 107.32 113.94 1ru9 s GLY 64 Ca 0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 44.72 43.86 1ru9 s GLY 64 CO -0.06 -0.58 0.50 -1.35 0.00 0.00 0.00 173.10 171.60 1ru9 s SER 65 N -1.48 0.14 0.00 1.64 1.04 -0.04 -4.41 113.70 110.59 1ru9 s SER 65 Ca 0.21 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1ru9 s SER 65 Cb -0.12 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1ru9 s SER 65 CO 0.11 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.72 1ru9 n GLY 66 N -0.43 0.77 3.64 7.32 0.00 -1.26 -0.81 105.19 114.42 1ru9 n GLY 66 Ca -0.02 -2.18 -0.03 0.00 0.00 0.00 0.00 46.02 43.80 1ru9 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ru9 s SER 67 N 0.00 -0.17 0.09 1.61 1.04 -0.90 -4.87 113.70 110.51 1ru9 s SER 67 Ca 0.00 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1ru9 s SER 67 Cb 0.00 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1ru9 s SER 67 CO 0.00 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1ru9 n GLY 68 N -0.38 1.71 0.00 7.32 0.00 -1.26 -2.97 105.19 109.61 1ru9 n GLY 68 Ca -0.06 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1ru9 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ru9 n THR 69 N 0.00 0.00 -3.77 2.61 -2.24 -1.26 -4.03 114.28 105.59 1ru9 n THR 69 Ca 0.00 -0.11 -0.36 0.00 -2.27 0.00 0.00 64.05 61.30 1ru9 n THR 69 Cb 0.00 0.72 -0.12 0.00 -2.10 0.00 0.00 70.33 68.83 1ru9 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ru9 s ASP 70 N -0.46 5.27 0.11 3.42 1.11 -1.16 -0.70 116.67 124.26 1ru9 s ASP 70 Ca 0.00 -0.16 0.07 0.00 0.18 0.00 0.00 52.55 52.64 1ru9 s ASP 70 Cb 0.00 -1.95 -0.04 0.00 1.07 0.00 0.00 42.92 42.01 1ru9 s ASP 70 CO 0.00 -0.02 -0.18 -0.36 1.18 0.00 0.00 175.17 175.79 1ru9 s PHE 71 N 1.51 1.64 0.00 4.23 0.08 0.13 -2.11 117.98 123.47 1ru9 s PHE 71 Ca 0.06 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 56.66 1ru9 s PHE 71 Cb -0.15 -0.88 -0.00 0.00 -0.57 0.00 0.00 43.02 41.42 1ru9 s PHE 71 CO 0.04 0.20 -0.02 0.99 -0.10 0.00 0.00 175.22 176.34 1ru9 s THR 72 N -1.53 0.13 -0.16 0.64 2.01 0.01 -1.38 115.64 115.36 1ru9 s THR 72 Ca 0.07 -0.17 -0.00 0.00 0.31 0.00 0.00 61.69 61.90 1ru9 s THR 72 Cb -0.08 -0.13 -0.00 0.00 0.01 0.00 0.00 72.50 72.29 1ru9 s THR 72 CO 0.04 -0.03 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.58 1ru9 s LEU 73 N -0.21 2.51 -0.04 4.42 2.96 -0.16 -0.86 118.68 127.29 1ru9 s LEU 73 Ca -0.01 -0.47 0.06 0.00 -0.22 0.00 0.00 54.13 53.49 1ru9 s LEU 73 Cb -0.02 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 1ru9 s LEU 73 CO -0.00 0.07 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.32 1ru9 s LYS 74 N 0.92 2.22 -0.32 1.98 1.02 -0.14 -1.33 119.74 124.09 1ru9 s LYS 74 Ca -0.03 -0.83 -0.05 0.00 0.02 0.00 0.00 55.97 55.07 1ru9 s LYS 74 Cb -0.15 -1.96 0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1ru9 s LYS 74 CO -0.02 0.40 0.07 0.42 -0.92 0.00 0.00 175.35 175.30 1ru9 s ILE 75 N -0.25 3.61 0.13 2.17 1.01 0.40 -1.42 121.20 126.85 1ru9 s ILE 75 Ca 0.00 -1.10 -0.31 0.00 0.00 0.00 0.00 60.65 59.24 1ru9 s ILE 75 Cb -0.12 -3.01 -0.10 0.00 0.01 0.00 0.00 42.46 39.25 1ru9 s ILE 75 CO 0.02 -0.10 1.51 0.77 0.00 0.00 0.00 174.94 177.14 1ru9 h SER 76 N 8.17 -1.80 -3.41 3.58 4.64 -1.50 -1.63 113.55 121.60 1ru9 h SER 76 Ca -0.25 0.24 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1ru9 h SER 76 Cb 1.09 0.75 -0.36 0.00 -0.31 0.00 0.00 62.40 63.56 1ru9 h SER 76 CO 0.59 -0.35 -0.74 0.00 -0.87 0.00 0.00 176.83 175.45 1ru9 s ARG 77 N -5.45 0.16 0.26 4.77 1.70 -1.26 -3.49 118.95 115.64 1ru9 s ARG 77 Ca -0.13 0.20 -0.30 0.00 -0.47 0.00 0.00 55.73 55.03 1ru9 s ARG 77 Cb 0.08 -0.51 -0.09 0.00 -0.57 0.00 0.00 34.95 33.86 1ru9 s ARG 77 CO 0.58 -0.23 1.04 0.08 -1.08 0.00 0.00 175.30 175.69 1ru9 s VAL 78 N 1.53 3.72 0.16 4.99 1.01 0.32 -4.81 120.40 127.32 1ru9 s VAL 78 Ca -0.03 1.72 0.10 0.00 0.00 0.00 0.00 61.98 63.77 1ru9 s VAL 78 Cb -0.13 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1ru9 s VAL 78 CO -0.03 0.40 -0.22 -1.61 0.00 0.00 0.00 175.10 173.65 1ru9 s GLU 79 N -1.27 1.61 0.37 2.72 2.02 -1.26 -0.82 118.70 122.07 1ru9 s GLU 79 Ca 0.44 -1.37 0.12 0.00 0.02 0.00 0.00 54.97 54.17 1ru9 s GLU 79 Cb -0.30 -1.96 0.90 0.00 0.10 0.00 0.00 34.13 32.88 1ru9 s GLU 79 CO 0.37 0.44 1.84 0.00 0.02 0.00 0.00 175.26 177.93 1ru9 h ALA 80 N 3.47 1.94 0.00 5.21 0.00 -1.98 0.01 119.26 127.92 1ru9 h ALA 80 Ca -0.49 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ru9 h ALA 80 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ru9 h ALA 80 CO 0.46 -0.23 0.00 0.39 0.00 0.00 0.00 179.25 179.87 1ru9 n GLU 81 N -4.59 0.60 0.00 0.00 1.02 -1.26 -2.33 120.64 114.08 1ru9 n GLU 81 Ca 0.20 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.45 1ru9 n GLU 81 Cb 0.59 -1.26 0.17 0.00 -0.02 0.00 0.00 31.44 30.92 1ru9 n GLU 81 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ru9 n ASP 82 N -0.76 0.86 -4.76 1.62 8.00 -0.01 -4.93 116.55 116.56 1ru9 n ASP 82 Ca 0.08 -0.66 -0.39 0.00 0.71 0.00 0.00 54.79 54.52 1ru9 n ASP 82 Cb 0.03 0.41 0.02 0.00 -0.02 0.00 0.00 41.12 41.56 1ru9 n ASP 82 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1ru9 s LEU 83 N -2.85 4.06 0.00 0.64 0.05 -0.99 -4.87 118.68 114.73 1ru9 s LEU 83 Ca 0.14 2.79 0.00 0.00 0.05 0.00 0.00 54.13 57.11 1ru9 s LEU 83 Cb 0.18 -4.03 0.00 0.00 -2.05 0.00 0.00 46.19 40.28 1ru9 s LEU 83 CO 0.69 -1.19 0.00 0.61 -0.55 0.00 0.00 176.35 175.91 1ru9 n GLY 84 N 0.63 0.16 3.53 -3.48 0.00 -1.13 -4.61 105.19 100.28 1ru9 n GLY 84 Ca 0.06 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 1ru9 n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ru9 s VAL 85 N -2.80 3.95 -0.17 1.61 1.01 -0.54 -0.73 120.40 122.74 1ru9 s VAL 85 Ca 0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 1ru9 s VAL 85 Cb 0.00 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1ru9 s VAL 85 CO 0.00 0.51 0.10 -0.31 0.00 0.00 0.00 175.10 175.41 1ru9 s TYR 86 N 0.13 3.39 0.14 5.22 1.51 0.90 -0.66 117.35 127.98 1ru9 s TYR 86 Ca -0.01 0.29 0.09 0.00 -1.01 0.00 0.00 57.07 56.44 1ru9 s TYR 86 Cb -0.14 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 1ru9 s TYR 86 CO 0.03 0.36 -0.22 0.71 -1.11 0.00 0.00 175.55 175.32 1ru9 s TYR 87 N -0.03 2.01 0.04 2.71 2.02 0.49 -0.76 117.35 123.81 1ru9 s TYR 87 Ca 0.08 -0.41 0.09 0.00 -0.37 0.00 0.00 57.07 56.46 1ru9 s TYR 87 Cb -0.12 -1.05 -0.03 0.00 -0.40 0.00 0.00 41.96 40.36 1ru9 s TYR 87 CO 0.00 0.32 -0.25 0.00 -1.57 0.00 0.00 175.55 174.05 1ru9 s TRP 89 N -0.80 0.70 -0.08 0.00 -0.00 -0.65 -0.67 118.94 117.43 1ru9 s TRP 89 Ca 0.12 -0.29 0.04 0.00 -0.00 0.00 0.00 56.10 55.98 1ru9 s TRP 89 Cb -0.10 -0.43 -0.00 0.00 -0.00 0.00 0.00 33.47 32.94 1ru9 s TRP 89 CO 0.02 -0.03 -0.23 1.14 -0.00 0.00 0.00 176.95 177.86 1ru9 s GLN 90 N -0.83 2.73 -0.15 5.86 1.03 -0.82 -1.29 119.66 126.20 1ru9 s GLN 90 Ca -0.02 -0.82 0.17 0.00 0.04 0.00 0.00 55.36 54.73 1ru9 s GLN 90 Cb -0.06 -2.14 0.36 0.00 0.03 0.00 0.00 33.01 31.20 1ru9 s GLN 90 CO 0.00 0.21 1.23 0.41 -2.54 0.00 0.00 175.29 174.60 1ru9 n GLY 91 N 3.40 4.73 0.09 2.60 0.00 -0.67 -3.17 105.19 112.18 1ru9 n GLY 91 Ca -0.19 -1.14 -0.05 0.00 0.00 0.00 0.00 46.02 44.64 1ru9 n GLY 91 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ru9 n THR 92 N -1.20 1.41 -4.29 2.61 -1.04 -1.26 -4.87 114.28 105.64 1ru9 n THR 92 Ca 0.18 -0.76 -0.30 0.00 -2.04 0.00 0.00 64.05 61.13 1ru9 n THR 92 Cb 0.71 -0.85 -0.17 0.00 -1.82 0.00 0.00 70.33 68.20 1ru9 n THR 92 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1ru9 s HIS 93 N -2.71 2.17 0.13 -1.42 3.76 -1.26 -5.05 115.29 110.91 1ru9 s HIS 93 Ca -0.05 -1.13 -0.30 0.00 -0.15 0.00 0.00 55.06 53.43 1ru9 s HIS 93 Cb 0.08 -1.56 -0.07 0.00 1.11 0.00 0.00 32.58 32.14 1ru9 s HIS 93 CO 0.82 -0.59 1.13 0.12 -0.85 0.00 0.00 174.74 175.38 1ru9 s PHE 94 N 1.19 3.53 0.50 1.40 5.36 -1.26 -3.28 117.98 125.41 1ru9 s PHE 94 Ca -0.01 1.49 -0.11 0.00 -0.96 0.00 0.00 56.93 57.34 1ru9 s PHE 94 Cb -0.14 -3.33 -0.06 0.00 -0.34 0.00 0.00 43.02 39.16 1ru9 s PHE 94 CO -0.06 -0.85 0.89 -1.25 -1.46 0.00 0.00 175.22 172.49 1ru9 s PRO 95 N 0.16 3.73 0.30 10.12 0.04 -1.26 -4.83 135.00 143.26 1ru9 s PRO 95 Ca 0.53 0.60 -0.29 0.00 0.04 0.00 0.00 61.00 61.88 1ru9 s PRO 95 Cb -0.29 -2.25 -0.10 0.00 0.04 0.00 0.00 34.50 31.90 1ru9 s PRO 95 CO 0.33 -0.26 1.19 0.71 0.04 0.00 0.00 177.00 179.01 1ru9 s TYR 96 N -2.71 3.35 0.13 0.56 2.02 -1.21 -4.67 117.35 114.82 1ru9 s TYR 96 Ca 0.53 1.58 0.06 0.00 -0.37 0.00 0.00 57.07 58.87 1ru9 s TYR 96 Cb -0.10 -3.46 -0.04 0.00 -0.40 0.00 0.00 41.96 37.96 1ru9 s TYR 96 CO 0.40 -1.12 -0.15 0.95 -1.57 0.00 0.00 175.55 174.05 1ru9 s THR 97 N -1.15 1.43 0.19 -0.71 -4.23 -1.19 -4.99 115.64 105.00 1ru9 s THR 97 Ca 0.46 -1.76 0.07 0.00 -1.18 0.00 0.00 61.69 59.29 1ru9 s THR 97 Cb -0.35 -1.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.85 1ru9 s THR 97 CO 0.46 -0.39 0.08 -0.36 -0.54 0.00 0.00 174.62 173.87 1ru9 s PHE 98 N -2.11 2.98 0.59 3.99 0.40 -1.26 -1.94 117.98 120.62 1ru9 s PHE 98 Ca 0.10 -0.10 -0.07 0.00 -0.60 0.00 0.00 56.93 56.26 1ru9 s PHE 98 Cb -0.05 -1.41 -0.00 0.00 0.51 0.00 0.00 43.02 42.07 1ru9 s PHE 98 CO 0.04 0.53 0.92 0.20 0.70 0.00 0.00 175.22 177.60 1ru9 s GLY 99 N -3.24 1.59 0.00 4.36 0.00 0.16 -4.49 107.32 105.70 1ru9 s GLY 99 Ca 0.30 -0.57 0.18 0.00 0.00 0.00 0.00 44.72 44.63 1ru9 s GLY 99 CO 0.21 -0.30 1.54 0.61 0.00 0.00 0.00 173.10 175.16 1ru9 n GLY 100 N -2.59 -0.84 0.00 0.20 0.00 -1.26 -4.65 105.19 96.04 1ru9 n GLY 100 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ru9 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ru9 n GLY 101 N 0.24 -0.25 2.81 -0.02 0.00 -1.26 -5.02 105.19 101.68 1ru9 n GLY 101 Ca 0.09 -1.66 -0.23 0.00 0.00 0.00 0.00 46.02 44.22 1ru9 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ru9 s THR 102 N -3.00 0.50 -0.27 2.61 2.01 0.06 -4.73 115.64 112.81 1ru9 s THR 102 Ca 0.00 0.03 -0.21 0.00 0.31 0.00 0.00 61.69 61.82 1ru9 s THR 102 Cb 0.00 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 1ru9 s THR 102 CO 0.00 0.27 0.64 -0.75 -0.69 0.00 0.00 174.62 174.10 1ru9 s LYS 103 N 1.81 4.06 -0.26 4.92 2.20 -0.13 -0.07 119.74 132.28 1ru9 s LYS 103 Ca 0.03 0.51 -0.15 0.00 -0.36 0.00 0.00 55.97 56.00 1ru9 s LYS 103 Cb -0.13 -3.67 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 1ru9 s LYS 103 CO -0.05 -0.46 0.38 -1.17 -0.36 0.00 0.00 175.35 173.69 1ru9 s LEU 104 N 2.56 4.06 -0.05 5.43 2.96 0.09 -1.20 118.68 132.53 1ru9 s LEU 104 Ca 0.26 0.33 0.03 0.00 -0.22 0.00 0.00 54.13 54.53 1ru9 s LEU 104 Cb -0.15 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 1ru9 s LEU 104 CO 0.09 -0.16 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.24 1ru9 s GLU 105 N 1.92 2.56 -0.01 1.98 2.02 0.15 -2.82 118.70 124.50 1ru9 s GLU 105 Ca 0.16 -0.66 -0.23 0.00 0.02 0.00 0.00 54.97 54.25 1ru9 s GLU 105 Cb -0.16 -2.44 -0.05 0.00 0.10 0.00 0.00 34.13 31.58 1ru9 s GLU 105 CO 0.09 0.63 0.69 0.42 0.02 0.00 0.00 175.26 177.12 1ru9 s ILE 106 N -0.78 4.90 -0.16 -1.63 -1.09 -1.26 -0.85 121.20 120.32 1ru9 s ILE 106 Ca 0.12 1.45 -0.12 0.00 -2.23 0.00 0.00 60.65 59.87 1ru9 s ILE 106 Cb -0.11 -4.04 -0.05 0.00 -1.58 0.00 0.00 42.46 36.69 1ru9 s ILE 106 CO 0.01 0.34 0.23 -0.75 -1.23 0.00 0.00 174.94 173.55 1ru9 s LYS 107 N 0.22 4.17 0.21 2.79 2.20 -0.34 -4.82 119.74 124.16 1ru9 s LYS 107 Ca 0.36 -0.01 0.03 0.00 -0.36 0.00 0.00 55.97 55.98 1ru9 s LYS 107 Cb -0.19 -3.40 -0.01 0.00 -1.51 0.00 0.00 37.83 32.72 1ru9 s LYS 107 CO 0.20 0.31 0.23 2.89 -0.36 0.00 0.00 175.35 178.61 1ru9 n ARG 108 N 3.38 0.33 -2.40 4.03 1.85 -1.26 -4.27 116.66 118.32 1ru9 n ARG 108 Ca -0.14 -1.95 -0.39 0.00 -1.00 0.00 0.00 57.85 54.37 1ru9 n ARG 108 Cb 0.52 1.70 -0.03 0.00 -1.05 0.00 0.00 32.46 33.59 1ru9 n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ru9 s ALA 109 N -2.64 3.30 0.61 2.89 0.00 -1.26 -4.97 121.76 119.69 1ru9 s ALA 109 Ca 0.22 0.93 -0.18 0.00 0.00 0.00 0.00 51.96 52.93 1ru9 s ALA 109 Cb 0.01 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.72 1ru9 s ALA 109 CO 0.16 -0.32 0.75 -0.25 0.00 0.00 0.00 175.76 176.10 1ru9 n ASP 110 N 0.66 -0.15 -3.69 0.00 9.92 -1.26 -4.82 116.55 117.21 1ru9 n ASP 110 Ca 0.01 0.75 -0.11 0.00 -0.53 0.00 0.00 54.79 54.92 1ru9 n ASP 110 Cb 0.46 -1.29 -0.11 0.00 -0.64 0.00 0.00 41.12 39.54 1ru9 n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ru9 s ALA 111 N -1.64 -0.95 0.44 2.24 0.00 0.17 -4.90 121.76 117.12 1ru9 s ALA 111 Ca 0.73 1.40 -0.21 0.00 0.00 0.00 0.00 51.96 53.88 1ru9 s ALA 111 Cb -0.42 -0.93 -0.10 0.00 0.00 0.00 0.00 23.12 21.67 1ru9 s ALA 111 CO 0.50 -0.33 0.99 0.00 0.00 0.00 0.00 175.76 176.92 1ru9 s ALA 112 N 1.58 3.00 0.54 0.00 0.00 -1.26 -1.16 121.76 124.46 1ru9 s ALA 112 Ca -0.08 0.50 -0.18 0.00 0.00 0.00 0.00 51.96 52.20 1ru9 s ALA 112 Cb -0.09 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 19.77 1ru9 s ALA 112 CO -0.12 -0.04 1.06 -1.25 0.00 0.00 0.00 175.76 175.41 1ru9 s PRO 113 N -3.09 3.52 -0.44 0.00 0.04 -1.26 -4.54 135.00 129.22 1ru9 s PRO 113 Ca 0.63 1.32 -0.16 0.00 0.04 0.00 0.00 61.00 62.83 1ru9 s PRO 113 Cb -0.13 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.40 1ru9 s PRO 113 CO 0.17 -0.66 0.38 0.99 0.04 0.00 0.00 177.00 177.92 1ru9 s THR 114 N -2.18 5.21 -0.12 1.26 2.01 -0.12 -4.86 115.64 116.83 1ru9 s THR 114 Ca 0.66 -0.79 -0.13 0.00 0.31 0.00 0.00 61.69 61.74 1ru9 s THR 114 Cb -0.17 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 1ru9 s THR 114 CO 0.29 -0.47 0.29 -0.69 -0.69 0.00 0.00 174.62 173.35 1ru9 s VAL 115 N 1.77 5.28 -0.02 3.82 1.01 -1.25 -1.49 120.40 129.52 1ru9 s VAL 115 Ca 0.06 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.60 1ru9 s VAL 115 Cb -0.21 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.57 1ru9 s VAL 115 CO 0.09 0.47 -0.02 -0.44 0.00 0.00 0.00 175.10 175.20 1ru9 s SER 116 N -0.13 0.50 -0.05 3.32 0.01 -0.72 -4.98 113.70 111.64 1ru9 s SER 116 Ca 0.18 -0.06 0.05 0.00 1.31 0.00 0.00 55.95 57.42 1ru9 s SER 116 Cb -0.14 -0.17 -0.02 0.00 0.21 0.00 0.00 66.02 65.90 1ru9 s SER 116 CO 0.06 -0.02 -0.19 -0.51 0.41 0.00 0.00 173.24 172.99 1ru9 s ILE 117 N 0.48 2.67 -0.07 1.44 2.07 -1.26 -1.18 121.20 125.35 1ru9 s ILE 117 Ca -0.05 -0.86 0.02 0.00 -1.41 0.00 0.00 60.65 58.35 1ru9 s ILE 117 Cb -0.08 -2.01 0.01 0.00 0.13 0.00 0.00 42.46 40.51 1ru9 s ILE 117 CO -0.01 0.58 -0.13 -0.36 -1.91 0.00 0.00 174.94 173.11 1ru9 s PHE 118 N -0.55 1.51 0.83 3.50 0.40 0.67 -5.01 117.98 119.33 1ru9 s PHE 118 Ca 0.08 -0.55 -0.12 0.00 -0.60 0.00 0.00 56.93 55.74 1ru9 s PHE 118 Cb -0.11 -1.10 0.09 0.00 0.51 0.00 0.00 43.02 42.41 1ru9 s PHE 118 CO 0.01 -0.28 1.10 -2.14 0.70 0.00 0.00 175.22 174.61 1ru9 s PRO 119 N 0.61 1.84 0.45 0.24 0.02 -1.26 -2.02 135.00 134.89 1ru9 s PRO 119 Ca -0.14 0.65 -0.24 0.00 0.02 0.00 0.00 61.00 61.29 1ru9 s PRO 119 Cb -0.16 -1.89 -0.08 0.00 0.02 0.00 0.00 34.50 32.40 1ru9 s PRO 119 CO 0.04 -1.80 1.32 -2.14 -0.33 0.00 0.00 177.00 174.10 1ru9 s PRO 120 N -5.12 3.70 0.73 5.54 0.02 -1.19 -4.82 135.00 133.85 1ru9 s PRO 120 Ca 0.62 2.18 -0.11 0.00 0.02 0.00 0.00 61.00 63.71 1ru9 s PRO 120 Cb -0.15 -2.58 0.03 0.00 0.02 0.00 0.00 34.50 31.82 1ru9 s PRO 120 CO 0.55 -0.72 1.07 -1.54 -0.33 0.00 0.00 177.00 176.03 1ru9 s SER 121 N -0.82 5.11 0.20 2.53 1.04 -1.26 -4.90 113.70 115.60 1ru9 s SER 121 Ca 0.62 1.49 -0.11 0.00 0.48 0.00 0.00 55.95 58.43 1ru9 s SER 121 Cb -0.39 -2.33 0.13 0.00 0.10 0.00 0.00 66.02 63.54 1ru9 s SER 121 CO 0.48 -1.60 1.86 0.28 0.98 0.00 0.00 173.24 175.25 1ru9 h SER 122 N -0.83 0.79 -0.19 7.02 0.02 -2.00 -2.32 113.55 116.05 1ru9 h SER 122 Ca -0.45 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 60.51 1ru9 h SER 122 Cb 1.23 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 1ru9 h SER 122 CO 0.58 0.58 -0.04 -0.33 -1.14 0.00 0.00 176.83 176.49 1ru9 h GLU 123 N 0.93 0.01 -0.57 3.45 3.07 -2.00 -2.16 114.58 117.32 1ru9 h GLU 123 Ca 0.25 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.07 1ru9 h GLU 123 Cb -0.10 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.79 1ru9 h GLU 123 CO -0.05 0.01 0.18 0.37 -1.40 0.00 0.00 179.01 178.12 1ru9 h GLN 124 N 0.02 0.85 -0.51 2.33 4.15 -1.83 -2.43 115.11 117.69 1ru9 h GLN 124 Ca 0.09 -0.16 0.09 0.00 0.77 0.00 0.00 58.65 59.44 1ru9 h GLN 124 Cb 0.13 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 1ru9 h GLN 124 CO -0.18 0.74 0.35 -0.07 -1.93 0.00 0.00 178.83 177.73 1ru9 h LEU 125 N 0.83 0.29 0.00 -2.39 3.38 -0.84 0.14 115.31 116.73 1ru9 h LEU 125 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1ru9 h LEU 125 Cb 0.24 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1ru9 h LEU 125 CO -0.01 0.18 0.00 0.35 0.09 0.00 0.00 178.44 179.05 1ru9 n THR 126 N -4.47 0.12 0.33 0.22 -2.24 -0.91 -2.64 114.28 104.69 1ru9 n THR 126 Ca 0.08 0.03 0.08 0.00 -2.27 0.00 0.00 64.05 61.97 1ru9 n THR 126 Cb 0.34 -0.64 0.13 0.00 -2.10 0.00 0.00 70.33 68.06 1ru9 n THR 126 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ru9 n SER 127 N -1.13 2.76 0.00 3.42 3.41 0.48 -4.96 113.62 117.60 1ru9 n SER 127 Ca 0.15 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.96 1ru9 n SER 127 Cb 0.13 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ru9 n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ru9 n GLY 128 N 0.96 0.92 3.66 5.00 0.00 -1.08 -4.99 105.19 109.65 1ru9 n GLY 128 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1ru9 n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ru9 s GLY 129 N -1.94 1.66 -0.25 -0.02 0.00 -1.23 0.68 107.32 106.23 1ru9 s GLY 129 Ca 0.00 -1.52 -0.02 0.00 0.00 0.00 0.00 44.72 43.18 1ru9 s GLY 129 CO 0.00 -1.56 0.34 0.00 0.00 0.00 0.00 173.10 171.88 1ru9 s ALA 130 N -2.05 -0.86 -0.19 3.20 0.00 0.25 -3.72 121.76 118.39 1ru9 s ALA 130 Ca 0.30 0.51 -0.06 0.00 0.00 0.00 0.00 51.96 52.70 1ru9 s ALA 130 Cb -0.08 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 1ru9 s ALA 130 CO 0.19 -1.39 0.04 -1.12 0.00 0.00 0.00 175.76 173.49 1ru9 s SER 131 N 2.48 5.33 -0.23 0.00 0.01 -1.26 -0.59 113.70 119.43 1ru9 s SER 131 Ca 0.11 -0.03 -0.06 0.00 1.31 0.00 0.00 55.95 57.28 1ru9 s SER 131 Cb -0.15 -1.91 -0.02 0.00 0.21 0.00 0.00 66.02 64.15 1ru9 s SER 131 CO -0.20 0.14 0.03 -0.69 0.41 0.00 0.00 173.24 172.93 1ru9 s VAL 132 N 0.59 4.02 -0.00 3.43 1.01 0.79 -3.18 120.40 127.06 1ru9 s VAL 132 Ca 0.02 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1ru9 s VAL 132 Cb -0.13 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1ru9 s VAL 132 CO 0.02 0.37 0.02 -0.69 0.00 0.00 0.00 175.10 174.82 1ru9 s VAL 133 N 1.48 4.30 -0.04 2.92 1.01 -0.85 -0.24 120.40 128.98 1ru9 s VAL 133 Ca 0.06 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1ru9 s VAL 133 Cb -0.15 -2.93 0.03 0.00 0.00 0.00 0.00 36.38 33.33 1ru9 s VAL 133 CO 0.02 0.37 -0.00 0.00 0.00 0.00 0.00 175.10 175.49 1ru9 s PHE 135 N 1.14 3.06 -0.49 0.00 0.08 -0.32 -0.33 117.98 121.12 1ru9 s PHE 135 Ca -0.08 -0.25 -0.01 0.00 0.12 0.00 0.00 56.93 56.71 1ru9 s PHE 135 Cb -0.13 -1.98 0.13 0.00 -0.57 0.00 0.00 43.02 40.46 1ru9 s PHE 135 CO -0.02 -0.02 0.27 -0.51 -0.10 0.00 0.00 175.22 174.85 1ru9 s LEU 136 N 0.39 5.05 0.16 -0.37 1.02 0.50 -1.76 118.68 123.67 1ru9 s LEU 136 Ca -0.03 -2.47 0.04 0.00 0.02 0.00 0.00 54.13 51.70 1ru9 s LEU 136 Cb -0.14 -1.78 -0.04 0.00 0.02 0.00 0.00 46.19 44.25 1ru9 s LEU 136 CO 0.02 -0.42 0.21 0.20 0.02 0.00 0.00 176.35 176.39 1ru9 s ASN 137 N 1.02 5.91 -1.05 2.29 0.02 -0.56 -0.46 114.94 122.11 1ru9 s ASN 137 Ca 0.13 0.00 -0.20 0.00 -1.02 0.00 0.00 52.86 51.78 1ru9 s ASN 137 Cb -0.22 -1.66 0.02 0.00 0.02 0.00 0.00 41.25 39.41 1ru9 s ASN 137 CO -0.04 0.05 0.67 0.59 0.02 0.00 0.00 177.10 178.39 1ru9 n ASN 138 N -0.51 -4.70 -4.60 -1.22 4.13 -0.60 -0.95 115.26 106.82 1ru9 n ASN 138 Ca -0.08 -1.10 -0.27 0.00 1.68 0.00 0.00 54.58 54.81 1ru9 n ASN 138 Cb 0.55 -2.03 -0.11 0.00 -1.54 0.00 0.00 39.78 36.65 1ru9 n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1ru9 s PHE 139 N -3.31 2.48 -0.28 3.10 -0.12 -0.33 -4.60 117.98 114.92 1ru9 s PHE 139 Ca 0.30 -0.62 -0.24 0.00 -0.05 0.00 0.00 56.93 56.31 1ru9 s PHE 139 Cb -0.15 -1.66 0.11 0.00 -0.63 0.00 0.00 43.02 40.68 1ru9 s PHE 139 CO 0.92 0.48 0.93 -0.47 -0.05 0.00 0.00 175.22 177.04 1ru9 s TYR 140 N -2.69 -0.58 1.29 3.49 6.14 -0.30 -0.65 117.35 124.04 1ru9 s TYR 140 Ca 0.34 1.39 -0.20 0.00 0.64 0.00 0.00 57.07 59.25 1ru9 s TYR 140 Cb 0.08 0.35 0.32 0.00 0.42 0.00 0.00 41.96 43.12 1ru9 s TYR 140 CO 0.18 -0.28 1.02 -1.25 0.64 0.00 0.00 175.55 175.85 1ru9 s PRO 141 N 0.38 -1.87 0.32 4.97 0.04 -1.26 -0.65 135.00 136.92 1ru9 s PRO 141 Ca 0.01 0.17 0.26 0.00 0.04 0.00 0.00 61.00 61.48 1ru9 s PRO 141 Cb -0.05 -1.50 1.07 0.00 0.04 0.00 0.00 34.50 34.06 1ru9 s PRO 141 CO -0.05 -4.19 1.77 1.57 0.04 0.00 0.00 177.00 176.14 1ru9 h LYS 142 N -2.93 0.00 -6.30 4.56 2.10 -1.98 -3.44 116.57 108.58 1ru9 h LYS 142 Ca -0.47 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 57.62 1ru9 h LYS 142 Cb 1.32 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.62 1ru9 h LYS 142 CO 0.35 0.00 0.57 -0.51 -2.00 0.00 0.00 179.45 177.86 1ru9 s ASP 143 N -4.56 7.21 0.12 7.07 1.01 -1.26 -5.01 116.67 121.24 1ru9 s ASP 143 Ca 0.04 1.63 -0.19 0.00 0.71 0.00 0.00 52.55 54.74 1ru9 s ASP 143 Cb 0.09 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.51 1ru9 s ASP 143 CO 0.43 -0.46 0.47 -0.51 0.21 0.00 0.00 175.17 175.31 1ru9 s ILE 144 N 1.90 0.05 -0.01 0.77 2.07 -1.26 -4.69 121.20 120.01 1ru9 s ILE 144 Ca 0.51 -0.38 0.03 0.00 -1.41 0.00 0.00 60.65 59.40 1ru9 s ILE 144 Cb -0.20 -1.09 -0.01 0.00 0.13 0.00 0.00 42.46 41.29 1ru9 s ILE 144 CO 0.20 -0.21 -0.11 0.20 -1.91 0.00 0.00 174.94 173.11 1ru9 s ASN 145 N -2.63 1.39 -0.08 4.50 0.02 -1.05 -5.01 114.94 112.08 1ru9 s ASN 145 Ca 0.01 -0.21 0.04 0.00 -1.02 0.00 0.00 52.86 51.67 1ru9 s ASN 145 Cb 0.01 -0.21 0.00 0.00 0.02 0.00 0.00 41.25 41.07 1ru9 s ASN 145 CO -0.10 0.13 -0.20 0.54 0.02 0.00 0.00 177.10 177.48 1ru9 s VAL 146 N -0.17 1.77 -0.03 1.60 0.11 -1.26 -1.43 120.40 120.99 1ru9 s VAL 146 Ca 0.03 -0.86 0.05 0.00 -2.93 0.00 0.00 61.98 58.27 1ru9 s VAL 146 Cb -0.06 -1.54 -0.01 0.00 -1.53 0.00 0.00 36.38 33.24 1ru9 s VAL 146 CO -0.00 0.50 -0.20 -0.75 -3.33 0.00 0.00 175.10 171.32 1ru9 s LYS 147 N 0.35 1.84 0.02 1.54 2.20 0.86 -4.96 119.74 121.58 1ru9 s LYS 147 Ca -0.15 -0.71 -0.00 0.00 -0.36 0.00 0.00 55.97 54.75 1ru9 s LYS 147 Cb -0.16 -1.66 -0.04 0.00 -1.51 0.00 0.00 37.83 34.45 1ru9 s LYS 147 CO 0.07 0.35 0.12 -1.58 -0.36 0.00 0.00 175.35 173.94 1ru9 s TRP 148 N -0.23 3.35 -0.03 4.03 0.52 -1.26 0.01 118.94 125.33 1ru9 s TRP 148 Ca 0.02 0.22 -0.00 0.00 0.02 0.00 0.00 56.10 56.35 1ru9 s TRP 148 Cb -0.10 -1.74 0.03 0.00 -1.15 0.00 0.00 33.47 30.51 1ru9 s TRP 148 CO 0.01 0.57 0.03 0.15 0.02 0.00 0.00 176.95 177.73 1ru9 s LYS 149 N -1.99 0.03 -0.32 4.98 1.02 -0.47 -0.98 119.74 122.01 1ru9 s LYS 149 Ca 0.26 0.21 -0.04 0.00 0.02 0.00 0.00 55.97 56.43 1ru9 s LYS 149 Cb -0.12 -0.37 0.05 0.00 -0.52 0.00 0.00 37.83 36.86 1ru9 s LYS 149 CO 0.18 -0.20 0.04 0.42 -0.92 0.00 0.00 175.35 174.87 1ru9 s ILE 150 N 1.35 3.29 -1.25 2.17 1.01 0.11 -0.66 121.20 127.21 1ru9 s ILE 150 Ca -0.06 -1.29 -0.06 0.00 0.00 0.00 0.00 60.65 59.24 1ru9 s ILE 150 Cb -0.13 -2.88 0.01 0.00 0.01 0.00 0.00 42.46 39.46 1ru9 s ILE 150 CO -0.03 -0.14 1.08 0.47 0.00 0.00 0.00 174.94 176.32 1ru9 n ASP 151 N 4.69 -4.84 0.00 3.58 8.00 -0.56 -2.15 116.55 125.27 1ru9 n ASP 151 Ca -0.13 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 54.83 1ru9 n ASP 151 Cb 0.44 -4.87 0.00 0.00 -0.02 0.00 0.00 41.12 36.66 1ru9 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ru9 n GLY 152 N -1.68 3.06 3.80 0.44 0.00 -1.26 -5.00 105.19 104.55 1ru9 n GLY 152 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1ru9 n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ru9 s SER 153 N -0.98 6.86 0.47 1.61 0.01 -0.91 -5.00 113.70 115.75 1ru9 s SER 153 Ca 0.00 1.02 -0.22 0.00 1.31 0.00 0.00 55.95 58.06 1ru9 s SER 153 Cb 0.00 -2.29 -0.07 0.00 0.21 0.00 0.00 66.02 63.87 1ru9 s SER 153 CO 0.00 0.23 1.14 -0.70 0.41 0.00 0.00 173.24 174.32 1ru9 s GLU 154 N -0.68 3.71 -0.07 12.44 2.12 -1.26 0.06 118.70 135.01 1ru9 s GLU 154 Ca 0.26 1.69 -0.01 0.00 0.36 0.00 0.00 54.97 57.27 1ru9 s GLU 154 Cb -0.17 -2.31 0.03 0.00 0.26 0.00 0.00 34.13 31.93 1ru9 s GLU 154 CO 0.14 -0.57 -0.02 0.50 -0.54 0.00 0.00 175.26 174.77 1ru9 s ARG 155 N -2.84 0.82 -0.00 4.30 6.06 -0.15 -4.82 118.95 122.32 1ru9 s ARG 155 Ca 0.65 -0.01 0.03 0.00 -2.50 0.00 0.00 55.73 53.91 1ru9 s ARG 155 Cb -0.26 -1.05 -0.04 0.00 0.06 0.00 0.00 34.95 33.66 1ru9 s ARG 155 CO 0.31 -0.24 0.11 0.00 -2.50 0.00 0.00 175.30 172.98 1ru9 n GLN 156 N 4.84 3.43 -3.02 5.12 10.64 -1.26 -4.10 117.38 133.03 1ru9 n GLN 156 Ca -0.12 -0.01 -0.38 0.00 -1.83 0.00 0.00 57.00 54.66 1ru9 n GLN 156 Cb 0.50 -0.83 -0.06 0.00 -0.86 0.00 0.00 30.24 28.99 1ru9 n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1ru9 s ASN 157 N -1.76 7.24 0.00 2.61 0.02 -1.26 -3.98 114.94 117.82 1ru9 s ASN 157 Ca 0.00 1.56 0.00 0.00 -1.02 0.00 0.00 52.86 53.40 1ru9 s ASN 157 Cb 0.02 -2.47 0.00 0.00 0.02 0.00 0.00 41.25 38.82 1ru9 s ASN 157 CO 0.13 0.12 0.00 0.61 0.02 0.00 0.00 177.10 177.98 1ru9 n GLY 158 N 1.18 0.42 3.43 0.66 0.00 -1.26 -4.87 105.19 104.75 1ru9 n GLY 158 Ca -0.04 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 1ru9 n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ru9 s VAL 159 N -2.00 3.55 -0.07 1.61 1.01 -1.26 -1.27 120.40 121.98 1ru9 s VAL 159 Ca 0.00 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1ru9 s VAL 159 Cb 0.00 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.83 1ru9 s VAL 159 CO 0.00 0.49 -0.21 -0.76 0.00 0.00 0.00 175.10 174.63 1ru9 s LEU 160 N 0.50 1.97 0.21 3.92 1.43 -0.35 -4.98 118.68 121.38 1ru9 s LEU 160 Ca -0.05 -0.45 0.11 0.00 -1.03 0.00 0.00 54.13 52.72 1ru9 s LEU 160 Cb -0.15 -1.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.84 1ru9 s LEU 160 CO 0.03 0.17 -0.23 0.20 0.23 0.00 0.00 176.35 176.75 1ru9 s ASN 161 N 0.15 3.49 0.35 2.29 0.02 -1.26 -1.31 114.94 118.67 1ru9 s ASN 161 Ca -0.09 -0.89 -0.01 0.00 -1.02 0.00 0.00 52.86 50.85 1ru9 s ASN 161 Cb -0.14 -0.28 0.00 0.00 0.02 0.00 0.00 41.25 40.85 1ru9 s ASN 161 CO 0.05 0.10 0.47 -0.55 0.02 0.00 0.00 177.10 177.19 1ru9 s SER 162 N -2.84 1.04 0.18 -1.22 0.15 -0.57 -4.99 113.70 105.44 1ru9 s SER 162 Ca 0.23 -1.53 -0.04 0.00 0.70 0.00 0.00 55.95 55.31 1ru9 s SER 162 Cb -0.07 0.67 -0.03 0.00 -1.71 0.00 0.00 66.02 64.87 1ru9 s SER 162 CO 0.11 -1.30 0.17 0.42 1.20 0.00 0.00 173.24 173.84 1ru9 s THR 164 N -3.01 0.04 0.94 6.45 -4.23 -0.80 -1.11 115.64 113.92 1ru9 s THR 164 Ca 0.31 -1.80 -0.15 0.00 -1.18 0.00 0.00 61.69 58.88 1ru9 s THR 164 Cb -0.00 -2.20 0.18 0.00 1.34 0.00 0.00 72.50 71.81 1ru9 s THR 164 CO 0.21 -0.20 1.30 -1.81 -0.54 0.00 0.00 174.62 173.58 1ru9 s ASP 165 N -3.07 3.33 0.27 3.99 1.01 -1.26 -4.65 116.67 116.29 1ru9 s ASP 165 Ca 0.28 0.33 -0.29 0.00 0.71 0.00 0.00 52.55 53.58 1ru9 s ASP 165 Cb 0.06 -0.44 -0.09 0.00 1.01 0.00 0.00 42.92 43.45 1ru9 s ASP 165 CO 0.06 -2.60 1.15 -1.58 0.21 0.00 0.00 175.17 172.41 1ru9 s GLN 166 N -5.83 4.56 0.12 8.23 0.74 -1.26 -4.69 119.66 121.53 1ru9 s GLN 166 Ca 0.72 1.89 -0.28 0.00 0.05 0.00 0.00 55.36 57.75 1ru9 s GLN 166 Cb -0.05 -3.18 -0.07 0.00 1.10 0.00 0.00 33.01 30.82 1ru9 s GLN 166 CO 0.52 0.09 0.86 0.34 -0.55 0.00 0.00 175.29 176.55 1ru9 s ASP 167 N -0.63 7.42 0.00 6.67 -1.08 -0.42 -4.94 116.67 123.69 1ru9 s ASP 167 Ca 0.47 1.69 0.28 0.00 -0.52 0.00 0.00 52.55 54.46 1ru9 s ASP 167 Cb -0.33 -2.54 0.98 0.00 -1.46 0.00 0.00 42.92 39.56 1ru9 s ASP 167 CO 0.42 0.05 1.73 -1.54 0.52 0.00 0.00 175.17 176.35 1ru9 n SER 168 N 2.33 0.31 0.07 -0.34 3.41 -1.26 -0.30 113.62 117.84 1ru9 n SER 168 Ca -0.01 -0.06 -0.11 0.00 -0.26 0.00 0.00 58.87 58.42 1ru9 n SER 168 Cb 0.49 -0.12 -0.13 0.00 -0.26 0.00 0.00 64.21 64.19 1ru9 n SER 168 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1ru9 h LYS 169 N 0.17 0.12 0.00 4.33 5.09 -1.92 -3.40 116.57 120.95 1ru9 h LYS 169 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 60.65 60.54 1ru9 h LYS 169 Cb 0.46 0.07 0.00 0.00 0.10 0.00 0.00 32.23 32.86 1ru9 h LYS 169 CO 0.00 1.03 0.00 -0.40 -2.09 0.00 0.00 179.45 177.99 1ru9 n ASP 170 N -3.39 0.01 -1.62 7.07 5.75 -1.24 -5.03 116.55 118.09 1ru9 n ASP 170 Ca -0.07 -1.00 -0.17 0.00 -0.01 0.00 0.00 54.79 53.54 1ru9 n ASP 170 Cb 0.99 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 41.04 1ru9 n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1ru9 n SER 171 N -0.00 -5.03 -4.88 -1.12 7.64 0.59 -5.00 113.62 105.82 1ru9 n SER 171 Ca 0.00 0.21 -0.22 0.00 1.01 0.00 0.00 58.87 59.86 1ru9 n SER 171 Cb 0.32 -4.08 0.04 0.00 -1.01 0.00 0.00 64.21 59.48 1ru9 n SER 171 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ru9 n THR 172 N -3.25 0.00 -4.49 0.44 -2.24 -1.25 -4.75 114.28 98.75 1ru9 n THR 172 Ca -0.19 -2.04 -0.23 0.00 -2.27 0.00 0.00 64.05 59.33 1ru9 n THR 172 Cb 0.61 -0.30 -0.11 0.00 -2.10 0.00 0.00 70.33 68.43 1ru9 n THR 172 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1ru9 s TYR 173 N -2.65 2.11 -0.03 4.78 1.51 0.18 -1.30 117.35 121.95 1ru9 s TYR 173 Ca 0.47 -0.79 -0.12 0.00 -1.01 0.00 0.00 57.07 55.62 1ru9 s TYR 173 Cb -0.04 -1.36 0.02 0.00 -0.11 0.00 0.00 41.96 40.47 1ru9 s TYR 173 CO 0.30 0.22 0.26 -1.12 -1.11 0.00 0.00 175.55 174.09 1ru9 s SER 174 N -3.53 -0.15 0.03 2.29 0.01 -1.26 -1.19 113.70 109.90 1ru9 s SER 174 Ca 0.34 0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.70 1ru9 s SER 174 Cb 0.07 0.33 -0.02 0.00 0.21 0.00 0.00 66.02 66.61 1ru9 s SER 174 CO 0.15 -0.36 -0.05 -0.32 0.41 0.00 0.00 173.24 173.07 1ru9 s MET 175 N -1.07 0.39 -0.09 12.44 0.00 0.39 -1.91 119.30 129.45 1ru9 s MET 175 Ca -0.11 -0.65 0.04 0.00 0.00 0.00 0.00 55.69 54.96 1ru9 s MET 175 Cb -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 34.83 34.72 1ru9 s MET 175 CO 0.03 -0.01 -0.22 0.45 0.00 0.00 0.00 175.02 175.27 1ru9 s SER 176 N -1.47 2.81 -0.06 1.11 0.15 -0.26 -0.37 113.70 115.61 1ru9 s SER 176 Ca -0.13 -0.50 0.05 0.00 0.70 0.00 0.00 55.95 56.07 1ru9 s SER 176 Cb -0.10 -1.22 -0.01 0.00 -1.71 0.00 0.00 66.02 62.99 1ru9 s SER 176 CO -0.00 0.15 -0.23 -0.55 1.20 0.00 0.00 173.24 173.80 1ru9 s SER 177 N 0.34 2.83 -0.07 5.45 0.15 0.55 -1.52 113.70 121.43 1ru9 s SER 177 Ca -0.16 -0.48 0.02 0.00 0.70 0.00 0.00 55.95 56.03 1ru9 s SER 177 Cb -0.17 -0.92 0.01 0.00 -1.71 0.00 0.00 66.02 63.23 1ru9 s SER 177 CO 0.07 0.20 -0.12 -0.89 1.20 0.00 0.00 173.24 173.70 1ru9 s THR 178 N 0.03 1.11 -0.29 6.45 2.01 -0.43 0.01 115.64 124.53 1ru9 s THR 178 Ca -0.08 -0.46 -0.07 0.00 0.31 0.00 0.00 61.69 61.39 1ru9 s THR 178 Cb -0.14 -1.02 0.00 0.00 0.01 0.00 0.00 72.50 71.35 1ru9 s THR 178 CO 0.05 0.35 0.08 -0.22 -0.69 0.00 0.00 174.62 174.19 1ru9 s LEU 179 N 0.71 3.83 -0.18 4.42 2.96 0.67 -1.21 118.68 129.87 1ru9 s LEU 179 Ca -0.14 -0.64 -0.05 0.00 -0.22 0.00 0.00 54.13 53.08 1ru9 s LEU 179 Cb -0.16 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 1ru9 s LEU 179 CO 0.03 -0.18 -0.01 -0.89 -1.32 0.00 0.00 176.35 173.98 1ru9 s THR 180 N 1.52 3.98 0.38 3.68 2.01 -0.40 -0.15 115.64 126.67 1ru9 s THR 180 Ca 0.03 -0.31 0.04 0.00 0.31 0.00 0.00 61.69 61.75 1ru9 s THR 180 Cb -0.17 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 1ru9 s THR 180 CO 0.03 0.45 0.09 -0.76 -0.69 0.00 0.00 174.62 173.74 1ru9 s LEU 181 N 0.73 2.10 0.42 4.42 1.43 0.24 -4.76 118.68 123.26 1ru9 s LEU 181 Ca -0.00 -1.54 -0.11 0.00 -1.03 0.00 0.00 54.13 51.44 1ru9 s LEU 181 Cb -0.14 -0.28 -0.07 0.00 0.03 0.00 0.00 46.19 45.73 1ru9 s LEU 181 CO 0.02 -0.78 0.80 0.42 0.23 0.00 0.00 176.35 177.03 1ru9 s THR 182 N -3.22 4.75 0.30 5.49 -4.23 -1.26 -0.59 115.64 116.88 1ru9 s THR 182 Ca 0.28 0.71 0.02 0.00 -1.18 0.00 0.00 61.69 61.52 1ru9 s THR 182 Cb 0.05 -3.73 0.29 0.00 1.34 0.00 0.00 72.50 70.45 1ru9 s THR 182 CO 0.14 -0.53 1.87 0.50 -0.54 0.00 0.00 174.62 176.06 1ru9 h LYS 183 N 1.25 0.96 -0.83 3.99 3.11 0.05 -1.19 116.57 123.91 1ru9 h LYS 183 Ca -0.47 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 57.30 1ru9 h LYS 183 Cb 1.19 -0.22 -0.04 0.00 -1.00 0.00 0.00 32.23 32.16 1ru9 h LYS 183 CO 0.64 0.63 0.46 -0.44 -2.81 0.00 0.00 179.45 177.93 1ru9 h ASP 184 N 0.99 1.04 0.41 4.20 5.19 -1.93 -0.51 116.42 125.81 1ru9 h ASP 184 Ca 0.45 -0.10 -0.19 0.00 -0.62 0.00 0.00 57.03 56.58 1ru9 h ASP 184 Cb 0.40 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 1ru9 h ASP 184 CO -0.21 0.84 -0.80 -0.08 -3.12 0.00 0.00 179.24 175.86 1ru9 h GLU 185 N 1.16 0.30 -0.16 3.56 4.81 -1.70 -3.00 114.58 119.55 1ru9 h GLU 185 Ca 0.29 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1ru9 h GLU 185 Cb 0.03 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1ru9 h GLU 185 CO -0.05 0.96 0.04 -0.92 -0.73 0.00 0.00 179.01 178.31 1ru9 h TYR 186 N 0.19 0.27 0.00 0.92 3.20 -0.92 -2.38 116.97 118.26 1ru9 h TYR 186 Ca -0.04 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1ru9 h TYR 186 Cb 1.40 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.59 1ru9 h TYR 186 CO 0.04 0.40 0.00 0.39 -1.64 0.00 0.00 178.16 177.34 1ru9 n GLU 187 N -4.81 0.02 0.09 1.82 -0.58 -0.23 -2.22 120.64 114.73 1ru9 n GLU 187 Ca -0.05 0.44 0.09 0.00 -0.42 0.00 0.00 57.16 57.22 1ru9 n GLU 187 Cb 0.16 -1.56 -0.02 0.00 -0.57 0.00 0.00 31.44 29.45 1ru9 n GLU 187 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1ru9 n ARG 188 N -1.60 0.61 -3.86 3.49 0.63 -0.90 -4.95 116.66 110.08 1ru9 n ARG 188 Ca 0.01 0.15 -0.24 0.00 -0.92 0.00 0.00 57.85 56.85 1ru9 n ARG 188 Cb 0.06 -1.83 -0.04 0.00 0.45 0.00 0.00 32.46 31.10 1ru9 n ARG 188 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1ru9 s HIS 189 N -3.25 2.37 -0.03 -0.14 3.76 -0.94 -5.09 115.29 111.96 1ru9 s HIS 189 Ca -0.01 -0.63 -0.04 0.00 -0.15 0.00 0.00 55.06 54.23 1ru9 s HIS 189 Cb 0.09 -2.02 -0.02 0.00 1.11 0.00 0.00 32.58 31.74 1ru9 s HIS 189 CO 0.80 -0.11 -0.09 0.09 -0.85 0.00 0.00 174.74 174.58 1ru9 n ASN 190 N -1.50 0.83 -4.88 1.40 3.02 -1.26 -4.76 115.26 108.11 1ru9 n ASN 190 Ca 0.00 0.13 -0.35 0.00 -0.03 0.00 0.00 54.58 54.32 1ru9 n ASN 190 Cb 0.63 -0.30 -0.06 0.00 -0.61 0.00 0.00 39.78 39.45 1ru9 n ASN 190 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ru9 s SER 191 N -5.77 6.34 -0.09 6.41 1.04 -1.26 0.15 113.70 120.52 1ru9 s SER 191 Ca -0.09 0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.76 1ru9 s SER 191 Cb 0.03 -2.02 0.02 0.00 0.10 0.00 0.00 66.02 64.14 1ru9 s SER 191 CO 0.12 0.35 -0.10 -0.31 0.98 0.00 0.00 173.24 174.27 1ru9 s TYR 192 N -1.15 1.48 -0.02 5.02 2.02 -0.66 -1.49 117.35 122.55 1ru9 s TYR 192 Ca 0.20 -0.63 0.05 0.00 -0.37 0.00 0.00 57.07 56.32 1ru9 s TYR 192 Cb -0.12 -1.14 -0.01 0.00 -0.40 0.00 0.00 41.96 40.28 1ru9 s TYR 192 CO 0.10 -0.38 -0.16 0.99 -1.57 0.00 0.00 175.55 174.53 1ru9 s THR 193 N 1.08 1.28 -0.24 -0.71 2.01 0.16 -2.05 115.64 117.17 1ru9 s THR 193 Ca -0.07 -0.68 -0.00 0.00 0.31 0.00 0.00 61.69 61.25 1ru9 s THR 193 Cb -0.14 -1.08 0.03 0.00 0.01 0.00 0.00 72.50 71.32 1ru9 s THR 193 CO -0.01 0.37 -0.09 0.00 -0.69 0.00 0.00 174.62 174.19 1ru9 s GLU 195 N 1.26 3.77 -0.13 0.00 2.02 0.10 -2.11 118.70 123.60 1ru9 s GLU 195 Ca -0.01 -0.46 0.02 0.00 0.02 0.00 0.00 54.97 54.54 1ru9 s GLU 195 Cb -0.17 -3.06 0.01 0.00 0.10 0.00 0.00 34.13 31.00 1ru9 s GLU 195 CO -0.06 0.19 -0.21 0.00 0.02 0.00 0.00 175.26 175.20 1ru9 s ALA 196 N 0.53 2.28 -0.22 5.21 0.00 -0.16 -0.10 121.76 129.30 1ru9 s ALA 196 Ca -0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 1ru9 s ALA 196 Cb -0.14 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 22.00 1ru9 s ALA 196 CO 0.02 0.04 -0.09 0.95 0.00 0.00 0.00 175.76 176.68 1ru9 s THR 197 N 0.70 2.88 0.05 0.00 -4.23 -0.52 0.55 115.64 115.08 1ru9 s THR 197 Ca -0.09 -0.77 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 1ru9 s THR 197 Cb -0.16 -2.34 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 1ru9 s THR 197 CO 0.01 0.38 -0.08 -2.28 -0.54 0.00 0.00 174.62 172.11 1ru9 s HIS 198 N 1.38 0.75 0.16 3.99 2.46 -1.26 -2.53 115.29 120.25 1ru9 s HIS 198 Ca 0.04 -0.56 0.25 0.00 0.47 0.00 0.00 55.06 55.26 1ru9 s HIS 198 Cb -0.15 -0.44 1.36 0.00 -0.13 0.00 0.00 32.58 33.22 1ru9 s HIS 198 CO -0.06 -0.08 1.74 1.57 -2.47 0.00 0.00 174.74 175.44 1ru9 h LYS 199 N 4.25 0.00 0.00 2.88 2.10 -1.94 -0.76 116.57 123.10 1ru9 h LYS 199 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1ru9 h LYS 199 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1ru9 h LYS 199 CO 0.44 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.14 1ru9 n THR 200 N -2.46 0.87 -3.69 0.07 -2.24 -1.26 -4.71 114.28 100.86 1ru9 n THR 200 Ca -0.02 0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.84 1ru9 n THR 200 Cb 0.17 -0.96 -0.09 0.00 -2.10 0.00 0.00 70.33 67.35 1ru9 n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ru9 s SER 201 N -2.89 -0.48 0.23 3.42 0.15 -0.29 -4.95 113.70 108.89 1ru9 s SER 201 Ca 0.09 0.80 0.03 0.00 0.70 0.00 0.00 55.95 57.56 1ru9 s SER 201 Cb 0.10 0.83 0.22 0.00 -1.71 0.00 0.00 66.02 65.46 1ru9 s SER 201 CO 0.26 -0.28 1.55 0.00 1.20 0.00 0.00 173.24 175.97 1ru9 h THR 202 N 4.10 1.37 -3.35 6.45 1.03 -1.84 -3.40 112.91 117.26 1ru9 h THR 202 Ca -0.28 -1.93 -0.67 0.00 -0.01 0.00 0.00 66.41 63.53 1ru9 h THR 202 Cb 1.17 1.94 -0.14 0.00 -1.07 0.00 0.00 68.15 70.06 1ru9 h THR 202 CO 0.26 0.58 -0.64 -0.94 -0.01 0.00 0.00 175.52 174.76 1ru9 s SER 203 N -6.90 5.16 0.77 0.00 1.04 -1.26 -5.03 113.70 107.47 1ru9 s SER 203 Ca -0.05 0.02 -0.14 0.00 0.48 0.00 0.00 55.95 56.26 1ru9 s SER 203 Cb 0.12 -1.37 0.06 0.00 0.10 0.00 0.00 66.02 64.93 1ru9 s SER 203 CO 0.81 0.29 1.20 -2.16 0.98 0.00 0.00 173.24 174.36 1ru9 s PRO 204 N -1.47 1.89 -0.25 4.02 0.04 -1.26 -4.87 135.00 133.09 1ru9 s PRO 204 Ca 0.19 1.74 -0.17 0.00 0.04 0.00 0.00 61.00 62.80 1ru9 s PRO 204 Cb -0.11 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 1ru9 s PRO 204 CO 0.09 -2.02 0.48 0.42 0.04 0.00 0.00 177.00 176.01 1ru9 s ILE 205 N -2.09 5.10 -0.06 0.56 1.01 0.19 -4.88 121.20 121.03 1ru9 s ILE 205 Ca 0.73 0.82 0.03 0.00 0.00 0.00 0.00 60.65 62.24 1ru9 s ILE 205 Cb -0.29 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 1ru9 s ILE 205 CO 0.48 0.12 -0.15 -0.69 0.00 0.00 0.00 174.94 174.70 1ru9 s VAL 206 N 2.15 2.99 -0.04 2.92 1.01 -1.26 -0.99 120.40 127.19 1ru9 s VAL 206 Ca 0.20 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1ru9 s VAL 206 Cb -0.16 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.07 1ru9 s VAL 206 CO 0.09 0.58 -0.04 -0.54 0.00 0.00 0.00 175.10 175.19 1ru9 s LYS 207 N -0.56 0.76 0.19 2.72 -0.14 -0.90 -5.00 119.74 116.82 1ru9 s LYS 207 Ca 0.08 -0.09 -0.01 0.00 -1.36 0.00 0.00 55.97 54.59 1ru9 s LYS 207 Cb -0.11 -0.78 -0.04 0.00 -1.68 0.00 0.00 37.83 35.21 1ru9 s LYS 207 CO 0.01 -0.07 0.11 -1.12 -0.76 0.00 0.00 175.35 173.52 1ru9 s SER 208 N 0.87 0.28 -0.02 2.83 0.01 -1.26 -0.65 113.70 115.76 1ru9 s SER 208 Ca -0.11 -1.35 -0.28 0.00 1.31 0.00 0.00 55.95 55.51 1ru9 s SER 208 Cb -0.14 0.34 0.07 0.00 0.21 0.00 0.00 66.02 66.50 1ru9 s SER 208 CO 0.00 -0.80 0.63 0.72 0.41 0.00 0.00 173.24 174.20 1ru9 s PHE 209 N -4.10 -0.59 -0.17 2.43 -0.12 -0.87 -5.00 117.98 109.56 1ru9 s PHE 209 Ca 0.36 0.93 -0.06 0.00 -0.05 0.00 0.00 56.93 58.11 1ru9 s PHE 209 Cb 0.07 0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 1ru9 s PHE 209 CO 0.10 -0.62 0.03 -0.80 -0.05 0.00 0.00 175.22 173.87 1ru9 s ASN 210 N -1.43 5.34 0.45 1.98 0.01 -1.26 -1.66 114.94 118.38 1ru9 s ASN 210 Ca -0.09 0.02 -0.24 0.00 -0.71 0.00 0.00 52.86 51.83 1ru9 s ASN 210 Cb -0.01 -1.88 -0.09 0.00 0.41 0.00 0.00 41.25 39.68 1ru9 s ASN 210 CO 0.06 0.18 1.13 -1.14 -1.51 0.00 0.00 177.10 175.83 1ru9 n ARG 211 N 3.46 1.55 -1.05 -0.60 0.63 0.12 -1.73 116.66 119.04 1ru9 n ARG 211 Ca -0.17 0.56 -0.02 0.00 -0.92 0.00 0.00 57.85 57.30 1ru9 n ARG 211 Cb 0.52 -2.23 -0.01 0.00 0.45 0.00 0.00 32.46 31.19 1ru9 n ARG 211 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1ru9 n ASN 212 N 0.12 -3.61 -4.08 6.15 5.15 -1.26 -5.00 115.26 112.74 1ru9 n ASN 212 Ca 0.09 0.04 -0.23 0.00 -0.60 0.00 0.00 54.58 53.88 1ru9 n ASN 212 Cb 0.41 -1.25 -0.16 0.00 -0.53 0.00 0.00 39.78 38.26 1ru9 n ASN 212 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1ru9 s GLU 213 N -1.11 1.34 0.00 1.20 2.12 -0.71 -5.29 118.70 116.24 1ru9 s GLU 213 Ca 0.00 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.85 1ru9 s GLU 213 Cb 0.00 -1.21 0.00 0.00 0.26 0.00 0.00 34.13 33.18 1ru9 s GLU 213 CO 0.00 0.21 0.48 0.00 -0.54 0.00 0.00 175.26 175.42