#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ri9 n LYS 8 N 0.00 0.05 0.29 5.31 5.02 -1.26 -1.48 118.16 126.09 1ri9 n LYS 8 Ca 0.00 0.49 0.15 0.00 -2.02 0.00 0.00 58.31 56.93 1ri9 n LYS 8 Cb 0.00 -1.63 0.91 0.00 -0.02 0.00 0.00 35.03 34.28 1ri9 n LYS 8 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1ri9 h GLU 9 N 0.00 0.00 -0.81 1.97 4.11 -1.92 -0.79 114.58 117.14 1ri9 h GLU 9 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1ri9 h GLU 9 Cb 0.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1ri9 h GLU 9 CO 0.00 0.00 0.46 1.49 0.07 0.00 0.00 179.01 181.03 1ri9 h GLU 10 N 0.00 1.11 0.00 1.06 4.81 -1.21 -0.96 114.58 119.39 1ri9 h GLU 10 Ca 0.01 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.02 1ri9 h GLU 10 Cb 0.04 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1ri9 h GLU 10 CO -0.00 0.80 -0.48 0.87 -0.73 0.00 0.00 179.01 179.46 1ri9 h LYS 11 N 1.12 0.00 -0.14 1.92 6.56 -1.36 -1.96 116.57 122.71 1ri9 h LYS 11 Ca 0.29 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.86 1ri9 h LYS 11 Cb -0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 1ri9 h LYS 11 CO -0.05 0.48 0.02 0.22 -2.06 0.00 0.00 179.45 178.06 1ri9 h ASP 12 N 0.00 0.18 0.01 0.86 1.82 -1.06 0.30 116.42 118.53 1ri9 h ASP 12 Ca -0.00 -0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.57 1ri9 h ASP 12 Cb 0.87 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.84 1ri9 h ASP 12 CO 0.06 0.20 -0.25 0.15 -1.61 0.00 0.00 179.24 177.80 1ri9 h PHE 13 N 0.20 0.04 -0.72 0.28 3.04 -1.13 -3.30 116.94 115.34 1ri9 h PHE 13 Ca 0.05 -0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.01 1ri9 h PHE 13 Cb 0.11 -0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.57 1ri9 h PHE 13 CO 0.00 1.10 0.48 -0.09 -2.02 0.00 0.00 178.31 177.77 1ri9 h ARG 14 N -0.95 0.82 -0.06 1.11 2.43 -1.14 3.58 114.38 120.18 1ri9 h ARG 14 Ca -0.06 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1ri9 h ARG 14 Cb 1.09 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 30.40 1ri9 h ARG 14 CO -0.02 0.54 -0.40 1.57 -1.51 0.00 0.00 179.97 180.15 1ri9 h LYS 15 N 0.84 -0.50 0.08 0.20 5.09 -0.51 1.07 116.57 122.84 1ri9 h LYS 15 Ca 0.29 0.03 -0.28 0.00 0.09 0.00 0.00 60.65 60.79 1ri9 h LYS 15 Cb 0.11 0.11 -0.01 0.00 0.10 0.00 0.00 32.23 32.54 1ri9 h LYS 15 CO -0.09 -0.34 -1.39 -0.22 -2.09 0.00 0.00 179.45 175.32 1ri9 h LYS 16 N -0.52 0.18 -0.99 0.07 1.63 -1.51 -3.27 116.57 112.16 1ri9 h LYS 16 Ca 0.06 -0.30 -0.19 0.00 -0.85 0.00 0.00 60.65 59.37 1ri9 h LYS 16 Cb 0.63 0.11 -0.11 0.00 -0.60 0.00 0.00 32.23 32.26 1ri9 h LYS 16 CO -0.34 1.05 0.24 1.19 -3.45 0.00 0.00 179.45 178.13 1ri9 n PHE 17 N -3.40 1.16 0.00 1.91 3.01 1.18 -4.61 117.46 116.71 1ri9 n PHE 17 Ca -0.12 -0.98 0.00 0.00 1.01 0.00 0.00 57.45 57.36 1ri9 n PHE 17 Cb 1.02 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 1ri9 n PHE 17 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1ri9 n LYS 18 N -0.11 0.00 -1.91 -1.08 -0.00 0.37 -4.41 118.16 111.01 1ri9 n LYS 18 Ca 0.22 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.11 1ri9 n LYS 18 Cb 0.94 -0.85 -0.03 0.00 -0.00 0.00 0.00 35.03 35.09 1ri9 n LYS 18 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1ri9 s TYR 19 N -0.22 2.03 -0.60 5.58 5.04 -1.26 -4.95 117.35 122.98 1ri9 s TYR 19 Ca 0.00 0.12 -0.16 0.00 -2.44 0.00 0.00 57.07 54.60 1ri9 s TYR 19 Cb 0.00 -4.00 0.14 0.00 0.35 0.00 0.00 41.96 38.46 1ri9 s TYR 19 CO 0.00 -4.18 0.57 -0.51 -1.34 0.00 0.00 175.55 170.09 1ri9 s ASP 20 N 3.15 6.30 0.00 4.32 1.11 -1.26 -4.99 116.67 125.29 1ri9 s ASP 20 Ca 0.76 -1.93 -0.00 0.00 0.18 0.00 0.00 52.55 51.56 1ri9 s ASP 20 Cb -0.38 -2.22 0.00 0.00 1.07 0.00 0.00 42.92 41.39 1ri9 s ASP 20 CO 0.33 -0.83 0.00 0.61 1.18 0.00 0.00 175.17 176.46 1ri9 n GLY 21 N 5.02 3.14 3.32 0.21 0.00 -1.26 -5.10 105.19 110.52 1ri9 n GLY 21 Ca -0.08 -1.38 -0.46 0.00 0.00 0.00 0.00 46.02 44.09 1ri9 n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ri9 s GLU 22 N -2.00 3.42 -0.39 1.61 2.12 -1.26 -5.01 118.70 117.18 1ri9 s GLU 22 Ca 0.00 -2.28 -0.28 0.00 0.36 0.00 0.00 54.97 52.77 1ri9 s GLU 22 Cb -0.00 -4.37 -0.01 0.00 0.26 0.00 0.00 34.13 30.00 1ri9 s GLU 22 CO 0.00 -1.29 1.75 0.42 -0.54 0.00 0.00 175.26 175.60 1ri9 s ILE 23 N 0.50 3.52 -0.24 -3.70 1.01 -1.26 -4.92 121.20 116.12 1ri9 s ILE 23 Ca 0.14 0.50 -0.06 0.00 0.00 0.00 0.00 60.65 61.23 1ri9 s ILE 23 Cb -0.15 -3.77 0.11 0.00 0.01 0.00 0.00 42.46 38.66 1ri9 s ILE 23 CO -0.06 -0.55 0.48 0.00 0.00 0.00 0.00 174.94 174.81 1ri9 s ARG 24 N 5.79 0.40 -0.55 2.79 1.04 -1.26 -5.10 118.95 122.06 1ri9 s ARG 24 Ca 0.75 1.05 -0.26 0.00 -1.04 0.00 0.00 55.73 56.23 1ri9 s ARG 24 Cb -0.19 0.35 -0.04 0.00 -2.04 0.00 0.00 34.95 33.02 1ri9 s ARG 24 CO 0.31 -0.33 2.08 0.54 -0.04 0.00 0.00 175.30 177.86 1ri9 s VAL 25 N 2.69 3.22 -0.21 4.99 0.11 -1.26 -4.65 120.40 125.29 1ri9 s VAL 25 Ca 0.02 0.13 -0.21 0.00 -2.93 0.00 0.00 61.98 58.99 1ri9 s VAL 25 Cb -0.13 -3.56 -0.19 0.00 -1.53 0.00 0.00 36.38 30.96 1ri9 s VAL 25 CO -0.15 -0.54 0.22 0.25 -3.33 0.00 0.00 175.10 171.55 1ri9 h LEU 26 N 17.59 0.02 -6.98 2.54 6.46 -1.83 -3.44 115.31 129.67 1ri9 h LEU 26 Ca -0.26 -0.53 -0.61 0.00 -0.12 0.00 0.00 57.88 56.37 1ri9 h LEU 26 Cb 1.20 -0.01 -0.40 0.00 -0.73 0.00 0.00 40.66 40.73 1ri9 h LEU 26 CO 1.19 1.51 -0.72 -0.72 -0.62 0.00 0.00 178.44 179.07 1ri9 s TYR 27 N -2.37 2.28 -0.38 1.25 1.13 -1.25 -5.08 117.35 112.94 1ri9 s TYR 27 Ca -0.29 -2.65 -0.29 0.00 -1.41 0.00 0.00 57.07 52.43 1ri9 s TYR 27 Cb 0.06 -2.02 0.00 0.00 -1.10 0.00 0.00 41.96 38.90 1ri9 s TYR 27 CO 0.60 -0.74 1.51 -1.54 -2.51 0.00 0.00 175.55 172.87 1ri9 s SER 28 N -0.06 6.25 0.52 -0.18 1.04 -1.26 -4.08 113.70 115.92 1ri9 s SER 28 Ca 0.21 1.01 -0.06 0.00 0.48 0.00 0.00 55.95 57.58 1ri9 s SER 28 Cb -0.18 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.38 1ri9 s SER 28 CO -0.05 -1.47 0.84 0.28 0.98 0.00 0.00 173.24 173.81 1ri9 s THR 29 N 5.72 4.69 -0.14 2.02 -1.32 -1.23 -4.76 115.64 120.62 1ri9 s THR 29 Ca 0.66 0.27 -0.07 0.00 -1.21 0.00 0.00 61.69 61.33 1ri9 s THR 29 Cb -0.17 -3.80 -0.04 0.00 -1.51 0.00 0.00 72.50 66.98 1ri9 s THR 29 CO 0.32 -0.83 0.12 -0.75 -2.21 0.00 0.00 174.62 171.27 1ri9 s LYS 30 N -4.84 3.63 0.07 7.08 2.20 -1.26 -3.29 119.74 123.32 1ri9 s LYS 30 Ca 0.49 -0.19 -0.31 0.00 -0.36 0.00 0.00 55.97 55.61 1ri9 s LYS 30 Cb -0.10 -3.22 -0.06 0.00 -1.51 0.00 0.00 37.83 32.94 1ri9 s LYS 30 CO 0.46 0.62 1.26 0.08 -0.36 0.00 0.00 175.35 177.41 1ri9 s VAL 31 N -0.58 3.85 0.95 4.02 1.01 0.56 -4.01 120.40 126.19 1ri9 s VAL 31 Ca 0.12 1.32 -0.15 0.00 0.00 0.00 0.00 61.98 63.27 1ri9 s VAL 31 Cb -0.12 -3.84 0.20 0.00 0.00 0.00 0.00 36.38 32.62 1ri9 s VAL 31 CO 0.02 0.09 1.30 0.28 0.00 0.00 0.00 175.10 176.80 1ri9 s THR 32 N 1.19 2.01 -0.64 3.92 -1.32 -1.26 -1.83 115.64 117.71 1ri9 s THR 32 Ca 0.60 -0.06 0.25 0.00 -1.21 0.00 0.00 61.69 61.27 1ri9 s THR 32 Cb -0.31 -2.95 0.26 0.00 -1.51 0.00 0.00 72.50 68.00 1ri9 s THR 32 CO 0.29 0.00 1.66 0.00 -2.21 0.00 0.00 174.62 174.36 1ri9 h THR 33 N -1.58 0.00 -0.59 5.08 1.03 -1.93 2.19 112.91 117.10 1ri9 h THR 33 Ca -0.43 -0.62 0.00 0.00 -0.01 0.00 0.00 66.41 65.35 1ri9 h THR 33 Cb 1.23 1.56 0.00 0.00 -1.07 0.00 0.00 68.15 69.87 1ri9 h THR 33 CO 0.36 0.00 0.00 -0.24 -0.01 0.00 0.00 175.52 175.63 1ri9 n SER 34 N -2.46 4.18 -4.49 0.00 2.88 -1.26 -4.73 113.62 107.74 1ri9 n SER 34 Ca 0.05 -2.33 -0.29 0.00 -1.33 0.00 0.00 58.87 54.96 1ri9 n SER 34 Cb 0.46 -0.53 0.19 0.00 -0.75 0.00 0.00 64.21 63.58 1ri9 n SER 34 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1ri9 s ILE 35 N -1.71 1.92 -0.14 2.46 -1.16 -1.15 -4.75 121.20 116.67 1ri9 s ILE 35 Ca 0.45 0.00 -0.29 0.00 -0.51 0.00 0.00 60.65 60.30 1ri9 s ILE 35 Cb 0.28 -2.51 -0.04 0.00 0.61 0.00 0.00 42.46 40.81 1ri9 s ILE 35 CO 0.23 0.00 1.60 0.28 -2.81 0.00 0.00 174.94 174.24 1ri9 s THR 36 N -3.00 3.71 -0.01 4.00 -1.32 -1.26 -4.61 115.64 113.15 1ri9 s THR 36 Ca 0.67 0.83 0.01 0.00 -1.21 0.00 0.00 61.69 61.99 1ri9 s THR 36 Cb -0.16 -3.62 -0.02 0.00 -1.51 0.00 0.00 72.50 67.18 1ri9 s THR 36 CO 0.57 -0.17 0.01 -1.54 -2.21 0.00 0.00 174.62 171.28 1ri9 n SER 37 N 7.69 4.63 -0.11 8.08 3.41 -1.26 -4.42 113.62 131.63 1ri9 n SER 37 Ca 0.18 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.56 1ri9 n SER 37 Cb 0.44 0.64 -0.09 0.00 -0.26 0.00 0.00 64.21 64.95 1ri9 n SER 37 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1ri9 n LYS 38 N -1.95 0.50 -2.07 4.33 2.85 -1.26 -4.93 118.16 115.62 1ri9 n LYS 38 Ca -0.02 0.19 -0.42 0.00 -1.05 0.00 0.00 58.31 57.01 1ri9 n LYS 38 Cb 0.45 -1.35 -0.03 0.00 -0.65 0.00 0.00 35.03 33.45 1ri9 n LYS 38 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1ri9 s LYS 39 N -2.43 4.23 -0.07 -1.58 2.47 -1.26 -4.98 119.74 116.12 1ri9 s LYS 39 Ca -0.32 2.14 -0.03 0.00 -1.56 0.00 0.00 55.97 56.21 1ri9 s LYS 39 Cb 0.11 -3.68 0.04 0.00 -1.46 0.00 0.00 37.83 32.84 1ri9 s LYS 39 CO 0.43 -0.70 0.15 -1.58 0.16 0.00 0.00 175.35 173.81 1ri9 s TRP 40 N 2.89 -0.18 0.26 4.03 0.23 -1.26 -4.86 118.94 120.05 1ri9 s TRP 40 Ca 0.69 0.51 0.11 0.00 -2.03 0.00 0.00 56.10 55.39 1ri9 s TRP 40 Cb -0.35 -0.08 -0.05 0.00 0.03 0.00 0.00 33.47 33.03 1ri9 s TRP 40 CO 0.29 -0.18 -0.17 0.20 0.96 0.00 0.00 176.95 178.05 1ri9 s GLY 41 N 1.22 1.82 0.41 0.98 0.00 -1.26 -4.98 107.32 105.52 1ri9 s GLY 41 Ca -0.09 -1.79 0.12 0.00 0.00 0.00 0.00 44.72 42.96 1ri9 s GLY 41 CO -0.06 -1.87 1.97 0.00 0.00 0.00 0.00 173.10 173.14 1ri9 h THR 42 N 2.36 0.92 -0.39 0.90 1.03 -2.01 0.38 112.91 116.10 1ri9 h THR 42 Ca -0.42 -0.17 0.00 0.00 -0.01 0.00 0.00 66.41 65.81 1ri9 h THR 42 Cb 1.25 0.37 0.00 0.00 -1.07 0.00 0.00 68.15 68.70 1ri9 h THR 42 CO 0.58 0.09 0.00 0.54 -0.01 0.00 0.00 175.52 176.72 1ri9 n ARG 43 N -4.48 2.31 -3.90 0.00 1.74 -1.26 -4.92 116.66 106.16 1ri9 n ARG 43 Ca 0.10 -2.00 -0.21 0.00 -0.77 0.00 0.00 57.85 54.98 1ri9 n ARG 43 Cb 0.35 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 1ri9 n ARG 43 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ri9 s ASP 44 N -1.39 5.57 0.18 0.55 2.15 0.13 0.10 116.67 123.96 1ri9 s ASP 44 Ca 0.38 -0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.05 1ri9 s ASP 44 Cb 0.21 -1.26 -0.04 0.00 -0.30 0.00 0.00 42.92 41.54 1ri9 s ASP 44 CO 0.29 -0.22 0.35 -0.22 -0.17 0.00 0.00 175.17 175.21 1ri9 s LEU 45 N -3.96 4.27 -0.22 -1.34 2.96 -1.22 -4.57 118.68 114.60 1ri9 s LEU 45 Ca 0.38 0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.62 1ri9 s LEU 45 Cb -0.07 -3.07 0.28 0.00 0.50 0.00 0.00 46.19 43.83 1ri9 s LEU 45 CO 0.27 -0.00 1.51 1.67 -1.32 0.00 0.00 176.35 178.48 1ri9 n GLN 46 N -0.59 1.59 -0.91 1.98 7.27 -1.26 -4.82 117.38 120.64 1ri9 n GLN 46 Ca -0.05 -1.37 -0.31 0.00 0.07 0.00 0.00 57.00 55.34 1ri9 n GLN 46 Cb 0.54 -1.54 0.14 0.00 2.41 0.00 0.00 30.24 31.79 1ri9 n GLN 46 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1ri9 s VAL 47 N -1.59 2.53 0.22 1.69 -7.23 -1.26 -5.04 120.40 109.71 1ri9 s VAL 47 Ca 0.26 0.17 0.10 0.00 -1.81 0.00 0.00 61.98 60.70 1ri9 s VAL 47 Cb 0.22 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 1ri9 s VAL 47 CO 0.04 -0.22 -0.10 -0.54 -0.31 0.00 0.00 175.10 173.96 1ri9 s LYS 48 N -4.74 2.00 -0.04 4.82 3.01 -1.26 -4.65 119.74 118.87 1ri9 s LYS 48 Ca 0.65 -1.41 -0.30 0.00 -1.01 0.00 0.00 55.97 53.90 1ri9 s LYS 48 Cb -0.21 -2.06 -0.04 0.00 -1.01 0.00 0.00 37.83 34.51 1ri9 s LYS 48 CO 0.58 0.40 1.22 -1.25 0.51 0.00 0.00 175.35 176.80 1ri9 s PRO 49 N -3.13 4.35 0.00 -1.68 0.04 -1.26 -2.92 135.00 130.40 1ri9 s PRO 49 Ca 0.27 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1ri9 s PRO 49 Cb -0.07 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1ri9 s PRO 49 CO 0.16 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.16 1ri9 n GLY 50 N 3.38 1.02 3.85 0.56 0.00 0.74 -4.55 105.19 110.18 1ri9 n GLY 50 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1ri9 n GLY 50 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ri9 s GLU 51 N -0.59 2.37 -0.14 1.61 2.12 -1.01 -4.89 118.70 118.16 1ri9 s GLU 51 Ca 0.00 -1.76 -0.02 0.00 0.36 0.00 0.00 54.97 53.55 1ri9 s GLU 51 Cb 0.00 -2.19 -0.03 0.00 0.26 0.00 0.00 34.13 32.18 1ri9 s GLU 51 CO 0.00 -0.29 -0.05 -1.12 -0.54 0.00 0.00 175.26 173.25 1ri9 s SER 52 N -4.11 4.67 0.03 -1.70 0.01 -1.26 0.21 113.70 111.54 1ri9 s SER 52 Ca 0.42 -0.14 -0.00 0.00 1.31 0.00 0.00 55.95 57.55 1ri9 s SER 52 Cb -0.01 -1.66 -0.03 0.00 0.21 0.00 0.00 66.02 64.53 1ri9 s SER 52 CO 0.25 0.20 -0.03 -1.48 0.41 0.00 0.00 173.24 172.59 1ri9 s LEU 53 N 0.16 2.31 0.08 2.44 2.34 -1.21 -4.90 118.68 119.90 1ri9 s LEU 53 Ca -0.02 -0.65 -0.30 0.00 0.06 0.00 0.00 54.13 53.22 1ri9 s LEU 53 Cb -0.14 0.12 -0.05 0.00 -0.56 0.00 0.00 46.19 45.56 1ri9 s LEU 53 CO 0.03 -0.38 1.00 -1.61 -1.06 0.00 0.00 176.35 174.32 1ri9 s GLU 54 N -2.18 4.63 -0.20 1.48 2.02 -1.24 -3.48 118.70 119.72 1ri9 s GLU 54 Ca -0.09 1.49 -0.07 0.00 0.02 0.00 0.00 54.97 56.31 1ri9 s GLU 54 Cb -0.05 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 1ri9 s GLU 54 CO -0.04 0.08 0.07 0.08 0.02 0.00 0.00 175.26 175.47 1ri9 s VAL 55 N 0.38 4.68 0.00 2.63 1.01 -1.26 -1.17 120.40 126.68 1ri9 s VAL 55 Ca 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1ri9 s VAL 55 Cb -0.23 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1ri9 s VAL 55 CO 0.30 0.42 0.00 -0.38 0.00 0.00 0.00 175.10 175.44 1ri9 n ILE 56 N 3.94 0.00 -3.49 2.22 5.41 0.32 -3.50 119.36 124.26 1ri9 n ILE 56 Ca -0.16 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.31 1ri9 n ILE 56 Cb 0.52 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.42 1ri9 n ILE 56 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1ri9 s GLN 57 N 3.05 3.58 -0.03 0.38 -1.52 -1.26 -4.69 119.66 119.16 1ri9 s GLN 57 Ca 0.00 -0.16 -0.30 0.00 -1.95 0.00 0.00 55.36 52.95 1ri9 s GLN 57 Cb 0.00 -2.73 -0.06 0.00 -0.22 0.00 0.00 33.01 30.01 1ri9 s GLN 57 CO 0.00 0.29 1.62 0.95 -0.25 0.00 0.00 175.29 177.89 1ri9 s THR 58 N -2.01 3.54 0.00 -0.19 -4.23 -1.26 -3.41 115.64 108.08 1ri9 s THR 58 Ca 0.41 0.74 0.00 0.00 -1.18 0.00 0.00 61.69 61.66 1ri9 s THR 58 Cb -0.11 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.26 1ri9 s THR 58 CO 0.30 -0.05 0.73 0.41 -0.54 0.00 0.00 174.62 175.47 1ri9 n THR 59 N 5.28 0.00 0.00 3.99 -1.04 0.65 -4.81 114.28 118.35 1ri9 n THR 59 Ca 0.16 1.23 0.00 0.00 -2.04 0.00 0.00 64.05 63.41 1ri9 n THR 59 Cb 0.43 -2.08 0.00 0.00 -1.82 0.00 0.00 70.33 66.85 1ri9 n THR 59 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1ri9 n ASP 60 N -1.42 0.00 0.02 8.00 2.03 -1.26 -5.02 116.55 118.90 1ri9 n ASP 60 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 1ri9 n ASP 60 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1ri9 n ASP 60 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ri9 n ASP 61 N 0.00 0.98 -3.43 1.67 9.92 -1.26 -4.88 116.55 119.54 1ri9 n ASP 61 Ca 0.00 0.13 -0.29 0.00 -0.53 0.00 0.00 54.79 54.11 1ri9 n ASP 61 Cb 0.00 -0.32 -0.07 0.00 -0.64 0.00 0.00 41.12 40.10 1ri9 n ASP 61 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1ri9 n THR 62 N -3.51 2.81 -3.67 -3.53 -1.04 -1.26 -5.00 114.28 99.08 1ri9 n THR 62 Ca -0.03 -5.35 -0.09 0.00 -2.04 0.00 0.00 64.05 56.54 1ri9 n THR 62 Cb 0.19 -2.02 -0.09 0.00 -1.82 0.00 0.00 70.33 66.59 1ri9 n THR 62 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1ri9 s LYS 63 N -2.65 0.52 -0.12 -2.82 2.47 -1.26 -2.89 119.74 112.98 1ri9 s LYS 63 Ca 0.40 0.96 0.03 0.00 -1.56 0.00 0.00 55.97 55.80 1ri9 s LYS 63 Cb 0.15 0.04 0.01 0.00 -1.46 0.00 0.00 37.83 36.57 1ri9 s LYS 63 CO -0.01 -0.15 -0.23 0.14 0.16 0.00 0.00 175.35 175.26 1ri9 s VAL 64 N 1.49 2.04 -0.09 4.02 -7.23 -1.08 -0.25 120.40 119.30 1ri9 s VAL 64 Ca -0.10 -0.99 -0.22 0.00 -1.81 0.00 0.00 61.98 58.86 1ri9 s VAL 64 Cb -0.07 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 1ri9 s VAL 64 CO -0.16 0.55 0.66 -0.22 -0.31 0.00 0.00 175.10 175.63 1ri9 s LEU 65 N 0.60 4.29 0.37 1.32 2.96 -1.22 -2.29 118.68 124.71 1ri9 s LEU 65 Ca -0.13 1.09 -0.04 0.00 -0.22 0.00 0.00 54.13 54.84 1ri9 s LEU 65 Cb -0.17 -3.01 -0.04 0.00 0.50 0.00 0.00 46.19 43.47 1ri9 s LEU 65 CO 0.03 -0.12 0.64 0.00 -1.32 0.00 0.00 176.35 175.58 1ri9 s ARG 67 N -4.12 0.59 -0.08 0.00 3.52 -0.32 -1.73 118.95 116.82 1ri9 s ARG 67 Ca 0.45 -0.55 0.05 0.00 -0.13 0.00 0.00 55.73 55.55 1ri9 s ARG 67 Cb -0.10 -0.49 -0.01 0.00 -1.56 0.00 0.00 34.95 32.79 1ri9 s ARG 67 CO 0.36 0.12 -0.23 1.21 -0.81 0.00 0.00 175.30 175.95 1ri9 s ASN 68 N -0.93 3.23 0.54 -2.12 3.84 0.45 -3.68 114.94 116.27 1ri9 s ASN 68 Ca -0.03 -0.49 0.26 0.00 0.21 0.00 0.00 52.86 52.82 1ri9 s ASN 68 Cb -0.07 -1.07 1.42 0.00 -0.55 0.00 0.00 41.25 40.98 1ri9 s ASN 68 CO 0.00 0.22 1.77 -0.08 -2.79 0.00 0.00 177.10 176.23 1ri9 h GLU 69 N 6.25 0.00 0.00 0.43 4.57 -2.01 1.02 114.58 124.84 1ri9 h GLU 69 Ca -0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1ri9 h GLU 69 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1ri9 h GLU 69 CO 0.48 0.00 0.00 -1.91 -1.18 0.00 0.00 179.01 176.40 1ri9 n GLU 70 N -2.62 0.47 -0.57 1.92 4.07 -1.26 -4.84 120.64 117.82 1ri9 n GLU 70 Ca -0.02 0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 1ri9 n GLU 70 Cb 0.29 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.17 1ri9 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ri9 n GLY 71 N 0.81 0.70 3.58 8.31 0.00 0.35 -4.59 105.19 114.36 1ri9 n GLY 71 Ca 0.14 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1ri9 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ri9 s LYS 72 N -0.55 3.92 0.25 1.61 2.20 -1.14 -3.15 119.74 122.88 1ri9 s LYS 72 Ca 0.00 -0.35 0.07 0.00 -0.36 0.00 0.00 55.97 55.33 1ri9 s LYS 72 Cb 0.00 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 1ri9 s LYS 72 CO 0.00 -0.02 0.20 0.71 -0.36 0.00 0.00 175.35 175.88 1ri9 s TYR 73 N 1.24 3.11 0.13 4.03 1.51 -1.26 -0.41 117.35 125.69 1ri9 s TYR 73 Ca 0.06 -0.11 -0.20 0.00 -1.01 0.00 0.00 57.07 55.81 1ri9 s TYR 73 Cb -0.14 -1.41 0.05 0.00 -0.11 0.00 0.00 41.96 40.35 1ri9 s TYR 73 CO 0.05 0.52 0.51 0.20 -1.11 0.00 0.00 175.55 175.72 1ri9 s GLY 74 N -3.84 -0.46 0.13 0.71 0.00 -0.71 -4.82 107.32 98.33 1ri9 s GLY 74 Ca 0.33 0.29 0.03 0.00 0.00 0.00 0.00 44.72 45.37 1ri9 s GLY 74 CO 0.25 -0.01 0.19 -0.19 0.00 0.00 0.00 173.10 173.34 1ri9 s TYR 75 N -3.61 3.35 -0.06 1.90 2.02 0.12 0.85 117.35 121.92 1ri9 s TYR 75 Ca 0.01 0.10 -0.02 0.00 -0.37 0.00 0.00 57.07 56.78 1ri9 s TYR 75 Cb 0.00 -1.63 0.04 0.00 -0.40 0.00 0.00 41.96 39.97 1ri9 s TYR 75 CO -0.11 0.53 0.12 0.08 -1.57 0.00 0.00 175.55 174.60 1ri9 s VAL 76 N -1.64 -0.14 0.35 0.71 1.01 -0.97 -3.40 120.40 116.32 1ri9 s VAL 76 Ca 0.33 0.29 -0.27 0.00 0.00 0.00 0.00 61.98 62.33 1ri9 s VAL 76 Cb -0.11 -0.22 -0.09 0.00 0.00 0.00 0.00 36.38 35.95 1ri9 s VAL 76 CO 0.26 0.12 1.09 -0.22 0.00 0.00 0.00 175.10 176.34 1ri9 s LEU 77 N 1.71 4.33 0.65 3.92 0.20 -1.26 -2.63 118.68 125.60 1ri9 s LEU 77 Ca -0.03 2.18 0.36 0.00 0.69 0.00 0.00 54.13 57.33 1ri9 s LEU 77 Cb -0.12 -3.92 1.96 0.00 -0.43 0.00 0.00 46.19 43.68 1ri9 s LEU 77 CO -0.05 -0.37 2.13 0.08 -0.29 0.00 0.00 176.35 177.86 1ri9 h ARG 78 N 3.09 0.00 -0.05 1.98 0.11 -1.90 -2.45 114.38 115.17 1ri9 h ARG 78 Ca -0.48 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.63 1ri9 h ARG 78 Cb 1.22 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.24 1ri9 h ARG 78 CO 0.64 0.00 -0.52 1.03 0.10 0.00 0.00 179.97 181.23 1ri9 h SER 79 N 0.00 -1.61 -3.21 0.08 0.87 -1.90 -3.26 113.55 104.52 1ri9 h SER 79 Ca 0.02 0.19 -0.65 0.00 -1.23 0.00 0.00 61.79 60.11 1ri9 h SER 79 Cb 0.37 0.62 -0.39 0.00 -0.44 0.00 0.00 62.40 62.56 1ri9 h SER 79 CO -0.00 -0.50 -0.38 -0.72 -0.53 0.00 0.00 176.83 174.69 1ri9 s TYR 80 N -5.77 3.70 -0.25 2.24 -0.85 -0.92 -5.01 117.35 110.50 1ri9 s TYR 80 Ca -0.16 -3.22 -0.26 0.00 -0.52 0.00 0.00 57.07 52.91 1ri9 s TYR 80 Cb 0.07 -2.92 0.11 0.00 0.38 0.00 0.00 41.96 39.60 1ri9 s TYR 80 CO 0.62 -0.62 0.97 -1.17 -1.52 0.00 0.00 175.55 173.82 1ri9 s LEU 81 N -1.41 -0.49 1.10 -3.49 1.98 -1.23 -4.13 118.68 111.02 1ri9 s LEU 81 Ca 0.26 0.85 -0.17 0.00 -2.89 0.00 0.00 54.13 52.18 1ri9 s LEU 81 Cb -0.06 1.99 0.13 0.00 0.66 0.00 0.00 46.19 48.91 1ri9 s LEU 81 CO -0.15 -0.22 0.23 0.00 -1.89 0.00 0.00 176.35 174.32 1ri9 n ALA 82 N 1.93 -3.71 0.00 5.97 0.00 -1.26 -4.95 120.51 118.50 1ri9 n ALA 82 Ca -0.13 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.14 1ri9 n ALA 82 Cb 0.56 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1ri9 n ALA 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25