#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ri9 h LYS 8 N 0.00 0.00 -0.31 3.44 3.64 -1.94 -3.23 116.57 118.16 1ri9 h LYS 8 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1ri9 h LYS 8 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1ri9 h LYS 8 CO 0.00 0.00 0.10 1.49 -2.27 0.00 0.00 179.45 178.77 1ri9 h GLU 9 N 0.00 0.44 -0.68 1.90 4.57 -1.96 -0.40 114.58 118.45 1ri9 h GLU 9 Ca 0.00 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1ri9 h GLU 9 Cb 0.78 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.26 1ri9 h GLU 9 CO 0.00 0.39 0.33 1.49 -1.18 0.00 0.00 179.01 180.04 1ri9 h GLU 10 N 0.44 0.98 -0.28 1.92 4.57 -1.59 1.32 114.58 121.93 1ri9 h GLU 10 Ca 0.11 -0.14 -0.17 0.00 -1.18 0.00 0.00 59.36 57.98 1ri9 h GLU 10 Cb 0.13 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1ri9 h GLU 10 CO -0.01 0.77 -0.50 0.87 -1.18 0.00 0.00 179.01 178.96 1ri9 h LYS 11 N 0.94 0.79 -0.07 1.92 6.56 -1.55 -1.76 116.57 123.40 1ri9 h LYS 11 Ca 0.23 -0.47 -0.14 0.00 -1.06 0.00 0.00 60.65 59.22 1ri9 h LYS 11 Cb 0.11 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.80 1ri9 h LYS 11 CO -0.03 1.10 -0.57 0.22 -2.06 0.00 0.00 179.45 178.11 1ri9 h ASP 12 N 0.62 0.24 0.18 0.86 1.82 -0.64 -2.53 116.42 116.97 1ri9 h ASP 12 Ca 0.03 -0.13 -0.01 0.00 -0.39 0.00 0.00 57.03 56.53 1ri9 h ASP 12 Cb 1.08 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.02 1ri9 h ASP 12 CO 0.11 0.76 -0.09 0.15 -1.61 0.00 0.00 179.24 178.56 1ri9 h PHE 13 N 0.16 -0.23 -0.06 0.28 3.57 0.19 -2.78 116.94 118.08 1ri9 h PHE 13 Ca -0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1ri9 h PHE 13 Cb 1.05 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.87 1ri9 h PHE 13 CO 0.02 0.06 0.04 -0.09 -2.23 0.00 0.00 178.31 176.11 1ri9 h ARG 14 N -0.51 0.00 0.32 1.11 2.43 -1.32 2.41 114.38 118.83 1ri9 h ARG 14 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1ri9 h ARG 14 Cb 0.39 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1ri9 h ARG 14 CO 0.04 0.00 -0.47 -0.22 -1.51 0.00 0.00 179.97 177.81 1ri9 h LYS 15 N 0.00 -0.81 0.07 0.20 3.11 -1.17 0.99 116.57 118.96 1ri9 h LYS 15 Ca 0.03 0.06 -0.29 0.00 -2.81 0.00 0.00 60.65 57.64 1ri9 h LYS 15 Cb 0.11 0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.51 1ri9 h LYS 15 CO -0.00 -0.54 -1.47 -0.22 -2.81 0.00 0.00 179.45 174.41 1ri9 h LYS 16 N -0.84 0.15 -0.95 1.90 1.63 -1.37 -3.28 116.57 113.82 1ri9 h LYS 16 Ca -0.03 -0.26 -0.15 0.00 -0.85 0.00 0.00 60.65 59.36 1ri9 h LYS 16 Cb 0.78 0.10 -0.09 0.00 -0.60 0.00 0.00 32.23 32.42 1ri9 h LYS 16 CO -0.15 0.98 0.19 1.19 -3.45 0.00 0.00 179.45 178.21 1ri9 n PHE 17 N -3.36 1.14 0.00 1.91 3.01 0.81 -4.60 117.46 116.37 1ri9 n PHE 17 Ca -0.14 -0.84 0.00 0.00 1.01 0.00 0.00 57.45 57.48 1ri9 n PHE 17 Cb 1.02 -0.46 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 1ri9 n PHE 17 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1ri9 n LYS 18 N -0.05 0.00 -1.92 -1.08 0.00 0.34 -4.42 118.16 111.03 1ri9 n LYS 18 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 58.10 1ri9 n LYS 18 Cb 0.88 -0.86 -0.03 0.00 0.00 0.00 0.00 35.03 35.03 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 -0.18 2.11 -0.59 5.64 5.04 -1.26 -4.95 117.35 123.15 1ri9 s TYR 19 Ca 0.00 0.17 -0.15 0.00 -2.44 0.00 0.00 57.07 54.65 1ri9 s TYR 19 Cb 0.00 -3.99 0.15 0.00 0.35 0.00 0.00 41.96 38.47 1ri9 s TYR 19 CO 0.00 -4.10 0.54 0.34 -1.34 0.00 0.00 175.55 170.98 1ri9 s ASP 20 N 3.01 6.24 0.00 4.32 -1.08 -1.26 -5.00 116.67 122.90 1ri9 s ASP 20 Ca 0.76 -2.00 0.00 0.00 -0.52 0.00 0.00 52.55 50.78 1ri9 s ASP 20 Cb -0.38 -2.18 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 1ri9 s ASP 20 CO 0.33 -0.78 0.00 0.61 0.52 0.00 0.00 175.17 175.85 1ri9 n GLY 21 N 4.92 3.18 3.28 2.66 0.00 -1.26 -5.11 105.19 112.87 1ri9 n GLY 21 Ca -0.07 -1.38 -0.45 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.95 3.26 -0.35 1.61 2.12 -1.26 -5.02 118.70 117.11 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 -4.27 -0.02 0.00 0.26 0.00 0.00 34.13 30.10 1ri9 s GLU 22 CO 0.00 -1.27 1.87 0.42 -0.54 0.00 0.00 175.26 175.74 1ri9 s ILE 23 N 0.49 3.40 -0.24 -3.70 1.01 -1.26 -4.92 121.20 115.98 1ri9 s ILE 23 Ca 0.14 0.39 -0.06 0.00 0.00 0.00 0.00 60.65 61.12 1ri9 s ILE 23 Cb -0.16 -3.58 0.12 0.00 0.01 0.00 0.00 42.46 38.84 1ri9 s ILE 23 CO -0.05 -0.40 0.48 -0.60 0.00 0.00 0.00 174.94 174.37 1ri9 s ARG 24 N 5.94 0.41 -0.56 2.79 6.06 -1.26 -5.10 118.95 127.23 1ri9 s ARG 24 Ca 0.82 1.05 -0.26 0.00 -2.50 0.00 0.00 55.73 54.83 1ri9 s ARG 24 Cb -0.23 0.35 -0.04 0.00 0.06 0.00 0.00 34.95 35.10 1ri9 s ARG 24 CO 0.32 -0.34 2.04 0.54 -2.50 0.00 0.00 175.30 175.36 1ri9 s VAL 25 N 2.69 3.24 -0.20 7.11 0.11 -1.26 -4.64 120.40 127.45 1ri9 s VAL 25 Ca 0.02 0.14 -0.21 0.00 -2.93 0.00 0.00 61.98 59.01 1ri9 s VAL 25 Cb -0.13 -3.62 -0.19 0.00 -1.53 0.00 0.00 36.38 30.90 1ri9 s VAL 25 CO -0.16 -0.60 0.22 0.25 -3.33 0.00 0.00 175.10 171.49 1ri9 h LEU 26 N 17.39 0.03 -7.01 2.54 6.46 -1.83 -3.44 115.31 129.45 1ri9 h LEU 26 Ca -0.26 -0.53 -0.62 0.00 -0.12 0.00 0.00 57.88 56.36 1ri9 h LEU 26 Cb 1.20 -0.01 -0.40 0.00 -0.73 0.00 0.00 40.66 40.71 1ri9 h LEU 26 CO 1.19 1.52 -0.71 -0.72 -0.62 0.00 0.00 178.44 179.10 1ri9 s TYR 27 N -2.38 2.45 -0.38 1.25 1.13 -1.25 -5.07 117.35 113.10 1ri9 s TYR 27 Ca -0.29 -2.76 -0.29 0.00 -1.41 0.00 0.00 57.07 52.33 1ri9 s TYR 27 Cb 0.06 -2.13 -0.00 0.00 -1.10 0.00 0.00 41.96 38.79 1ri9 s TYR 27 CO 0.60 -0.73 1.58 -1.54 -2.51 0.00 0.00 175.55 172.95 1ri9 s SER 28 N -0.20 6.15 0.52 -0.18 1.04 -1.26 -4.09 113.70 115.68 1ri9 s SER 28 Ca 0.21 1.03 -0.06 0.00 0.48 0.00 0.00 55.95 57.61 1ri9 s SER 28 Cb -0.17 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.39 1ri9 s SER 28 CO -0.06 -1.55 0.83 0.28 0.98 0.00 0.00 173.24 173.72 1ri9 s THR 29 N 6.04 4.55 -0.13 2.02 -1.32 -1.24 -4.77 115.64 120.79 1ri9 s THR 29 Ca 0.69 0.17 -0.09 0.00 -1.21 0.00 0.00 61.69 61.25 1ri9 s THR 29 Cb -0.17 -3.75 -0.04 0.00 -1.51 0.00 0.00 72.50 67.02 1ri9 s THR 29 CO 0.33 -0.76 0.18 -0.75 -2.21 0.00 0.00 174.62 171.42 1ri9 s LYS 30 N -4.83 3.74 -0.14 7.08 2.20 -1.26 -3.43 119.74 123.10 1ri9 s LYS 30 Ca 0.50 -0.07 -0.29 0.00 -0.36 0.00 0.00 55.97 55.74 1ri9 s LYS 30 Cb -0.10 -3.27 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 1ri9 s LYS 30 CO 0.45 0.61 1.52 0.08 -0.36 0.00 0.00 175.35 177.65 1ri9 s VAL 31 N -0.57 3.84 0.21 4.02 1.01 0.39 -3.82 120.40 125.48 1ri9 s VAL 31 Ca 0.15 1.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.82 1ri9 s VAL 31 Cb -0.12 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.47 1ri9 s VAL 31 CO 0.04 -0.15 1.12 -0.89 0.00 0.00 0.00 175.10 175.21 1ri9 s THR 32 N 4.17 3.68 0.13 3.92 2.01 -1.26 -1.32 115.64 126.95 1ri9 s THR 32 Ca 0.67 1.51 0.07 0.00 0.31 0.00 0.00 61.69 64.25 1ri9 s THR 32 Cb -0.27 -3.97 0.07 0.00 0.01 0.00 0.00 72.50 68.34 1ri9 s THR 32 CO 0.25 0.29 1.05 1.07 -0.69 0.00 0.00 174.62 176.58 1ri9 n THR 33 N 2.00 0.37 -0.12 -0.82 5.66 -1.26 0.38 114.28 120.48 1ri9 n THR 33 Ca 0.02 0.73 0.08 0.00 -3.05 0.00 0.00 64.05 61.83 1ri9 n THR 33 Cb 0.45 -1.73 0.28 0.00 -1.55 0.00 0.00 70.33 67.78 1ri9 n THR 33 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ri9 n SER 34 N -1.88 3.78 -4.32 1.09 2.88 -1.26 -4.58 113.62 109.32 1ri9 n SER 34 Ca -0.00 -2.28 -0.29 0.00 -1.33 0.00 0.00 58.87 54.96 1ri9 n SER 34 Cb 0.49 -0.49 0.20 0.00 -0.75 0.00 0.00 64.21 63.66 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 -1.67 1.84 -0.09 2.46 -1.16 1.22 -4.66 121.20 119.14 1ri9 s ILE 35 Ca 0.41 0.00 -0.30 0.00 -0.51 0.00 0.00 60.65 60.25 1ri9 s ILE 35 Cb 0.25 -2.54 -0.04 0.00 0.61 0.00 0.00 42.46 40.74 1ri9 s ILE 35 CO 0.21 0.00 1.48 0.28 -2.81 0.00 0.00 174.94 174.10 1ri9 s THR 36 N -3.06 3.84 -0.01 4.00 -1.32 -1.25 -4.59 115.64 113.25 1ri9 s THR 36 Ca 0.68 1.05 0.01 0.00 -1.21 0.00 0.00 61.69 62.23 1ri9 s THR 36 Cb -0.14 -3.68 -0.02 0.00 -1.51 0.00 0.00 72.50 67.15 1ri9 s THR 36 CO 0.56 -0.08 0.01 -1.54 -2.21 0.00 0.00 174.62 171.36 1ri9 n SER 37 N 6.70 4.63 -0.11 8.08 3.41 -1.26 -4.37 113.62 130.70 1ri9 n SER 37 Ca 0.15 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.55 1ri9 n SER 37 Cb 0.44 0.66 -0.08 0.00 -0.26 0.00 0.00 64.21 64.96 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 -1.94 0.48 -2.06 4.33 2.85 -1.26 -4.94 118.16 115.63 1ri9 n LYS 38 Ca -0.02 0.19 -0.42 0.00 -1.05 0.00 0.00 58.31 57.00 1ri9 n LYS 38 Cb 0.43 -1.32 -0.03 0.00 -0.65 0.00 0.00 35.03 33.47 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 -2.41 4.23 -0.07 -1.58 2.36 -1.26 -4.99 119.74 116.02 1ri9 s LYS 39 Ca -0.30 2.16 -0.03 0.00 -2.55 0.00 0.00 55.97 55.25 1ri9 s LYS 39 Cb 0.11 -3.66 0.04 0.00 -1.05 0.00 0.00 37.83 33.27 1ri9 s LYS 39 CO 0.41 -0.69 0.16 -1.58 1.55 0.00 0.00 175.35 175.20 1ri9 s TRP 40 N 2.81 -0.19 0.27 4.03 0.23 -1.26 -4.86 118.94 119.97 1ri9 s TRP 40 Ca 0.70 0.54 0.11 0.00 -2.03 0.00 0.00 56.10 55.42 1ri9 s TRP 40 Cb -0.35 -0.07 -0.05 0.00 0.03 0.00 0.00 33.47 33.03 1ri9 s TRP 40 CO 0.29 -0.18 -0.15 0.20 0.96 0.00 0.00 176.95 178.07 1ri9 s GLY 41 N 1.24 1.82 0.35 0.98 0.00 -1.26 -4.98 107.32 105.47 1ri9 s GLY 41 Ca -0.09 -1.81 0.05 0.00 0.00 0.00 0.00 44.72 42.87 1ri9 s GLY 41 CO -0.06 -1.90 1.93 0.00 0.00 0.00 0.00 173.10 173.07 1ri9 h THR 42 N 2.19 1.00 -0.44 0.90 1.03 -2.01 0.23 112.91 115.81 1ri9 h THR 42 Ca -0.41 -0.27 0.00 0.00 -0.01 0.00 0.00 66.41 65.71 1ri9 h THR 42 Cb 1.26 0.13 0.00 0.00 -1.07 0.00 0.00 68.15 68.47 1ri9 h THR 42 CO 0.60 0.15 0.00 0.54 -0.01 0.00 0.00 175.52 176.79 1ri9 n ARG 43 N -4.49 2.32 -3.87 0.00 1.74 -1.26 -4.91 116.66 106.18 1ri9 n ARG 43 Ca 0.12 -2.01 -0.21 0.00 -0.77 0.00 0.00 57.85 54.98 1ri9 n ARG 43 Cb 0.26 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.29 5.64 0.10 0.55 2.15 0.82 -1.38 116.67 123.26 1ri9 s ASP 44 Ca 0.38 -0.28 -0.02 0.00 0.43 0.00 0.00 52.55 53.06 1ri9 s ASP 44 Cb 0.21 -1.29 -0.05 0.00 -0.30 0.00 0.00 42.92 41.49 1ri9 s ASP 44 CO 0.29 -0.23 0.29 -0.22 -0.17 0.00 0.00 175.17 175.13 1ri9 s LEU 45 N -3.98 4.31 -0.20 -1.34 2.96 -1.20 -4.57 118.68 114.67 1ri9 s LEU 45 Ca 0.38 0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.73 1ri9 s LEU 45 Cb -0.08 -3.13 0.26 0.00 0.50 0.00 0.00 46.19 43.75 1ri9 s LEU 45 CO 0.27 0.11 1.45 1.67 -1.32 0.00 0.00 176.35 178.54 1ri9 n GLN 46 N 0.19 1.53 -0.90 1.98 7.27 -1.26 -4.82 117.38 121.38 1ri9 n GLN 46 Ca -0.04 -1.25 -0.31 0.00 0.07 0.00 0.00 57.00 55.48 1ri9 n GLN 46 Cb 0.51 -1.49 0.15 0.00 2.41 0.00 0.00 30.24 31.82 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 -1.43 2.49 0.18 1.69 -7.23 -1.26 -5.04 120.40 109.80 1ri9 s VAL 47 Ca 0.24 0.16 0.08 0.00 -1.81 0.00 0.00 61.98 60.64 1ri9 s VAL 47 Cb 0.20 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 1ri9 s VAL 47 CO 0.04 -0.21 -0.02 -0.54 -0.31 0.00 0.00 175.10 174.06 1ri9 s LYS 48 N -4.74 2.33 0.02 4.82 3.01 -1.26 -4.65 119.74 119.27 1ri9 s LYS 48 Ca 0.65 -1.15 -0.30 0.00 -1.01 0.00 0.00 55.97 54.15 1ri9 s LYS 48 Cb -0.21 -2.31 -0.05 0.00 -1.01 0.00 0.00 37.83 34.26 1ri9 s LYS 48 CO 0.58 0.45 1.18 -1.25 0.51 0.00 0.00 175.35 176.82 1ri9 s PRO 49 N -2.95 4.42 0.00 -1.68 0.04 -1.26 -2.99 135.00 130.57 1ri9 s PRO 49 Ca 0.27 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1ri9 s PRO 49 Cb -0.09 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1ri9 s PRO 49 CO 0.18 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.33 1ri9 n GLY 50 N 3.24 0.98 3.89 0.56 0.00 -0.44 -4.51 105.19 108.91 1ri9 n GLY 50 Ca 0.09 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1ri9 n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ri9 s GLU 51 N -0.73 2.43 -0.14 1.61 8.01 -1.08 -4.89 118.70 123.92 1ri9 s GLU 51 Ca 0.00 -1.68 -0.02 0.00 0.01 0.00 0.00 54.97 53.29 1ri9 s GLU 51 Cb 0.00 -2.31 -0.02 0.00 -4.31 0.00 0.00 34.13 27.49 1ri9 s GLU 51 CO 0.00 -0.34 -0.08 -1.54 0.01 0.00 0.00 175.26 173.31 1ri9 s SER 52 N -4.20 4.47 0.05 -0.19 1.04 -1.26 0.15 113.70 113.76 1ri9 s SER 52 Ca 0.46 -0.19 -0.00 0.00 0.48 0.00 0.00 55.95 56.69 1ri9 s SER 52 Cb -0.03 -1.65 -0.03 0.00 0.10 0.00 0.00 66.02 64.41 1ri9 s SER 52 CO 0.27 0.19 -0.04 -1.48 0.98 0.00 0.00 173.24 173.16 1ri9 s LEU 53 N 0.23 2.41 0.05 2.42 2.34 -1.22 -4.91 118.68 120.00 1ri9 s LEU 53 Ca -0.05 -0.84 -0.28 0.00 0.06 0.00 0.00 54.13 53.02 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 0.04 -0.48 0.89 -1.61 -1.06 0.00 0.00 176.35 174.13 1ri9 s GLU 54 N -3.10 4.59 -0.21 1.48 8.01 -1.24 -3.59 118.70 124.64 1ri9 s GLU 54 Ca 0.00 1.30 -0.08 0.00 0.01 0.00 0.00 54.97 56.20 1ri9 s GLU 54 Cb 0.02 -3.40 -0.04 0.00 -4.31 0.00 0.00 34.13 26.40 1ri9 s GLU 54 CO -0.06 0.16 0.09 0.08 0.01 0.00 0.00 175.26 175.53 1ri9 s VAL 55 N 0.29 4.80 0.00 2.63 1.01 -1.26 -1.27 120.40 126.61 1ri9 s VAL 55 Ca 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1ri9 s VAL 55 Cb -0.22 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1ri9 s VAL 55 CO 0.27 0.41 0.00 -0.38 0.00 0.00 0.00 175.10 175.39 1ri9 n ILE 56 N 4.03 0.00 -3.51 2.22 5.41 0.31 -3.40 119.36 124.41 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 2.86 3.57 -0.01 0.38 -1.52 -1.26 -4.67 119.66 119.00 1ri9 s GLN 57 Ca 0.00 -0.19 -0.30 0.00 -1.95 0.00 0.00 55.36 52.92 1ri9 s GLN 57 Cb 0.00 -2.74 -0.06 0.00 -0.22 0.00 0.00 33.01 29.99 1ri9 s GLN 57 CO 0.00 0.30 1.58 0.95 -0.25 0.00 0.00 175.29 177.87 1ri9 s THR 58 N -2.00 3.50 0.00 -0.19 -4.23 -1.26 -3.25 115.64 108.21 1ri9 s THR 58 Ca 0.41 0.77 0.00 0.00 -1.18 0.00 0.00 61.69 61.69 1ri9 s THR 58 Cb -0.11 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.24 1ri9 s THR 58 CO 0.30 -0.04 0.72 0.41 -0.54 0.00 0.00 174.62 175.48 1ri9 n THR 59 N 5.09 0.00 0.00 3.99 -1.04 0.88 -4.82 114.28 118.38 1ri9 n THR 59 Ca 0.16 1.22 0.00 0.00 -2.04 0.00 0.00 64.05 63.39 1ri9 n THR 59 Cb 0.42 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 66.83 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 -1.34 0.00 0.02 8.00 2.03 -1.26 -5.02 116.55 118.98 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 0.92 -3.41 1.67 8.00 -1.26 -4.88 116.55 117.58 1ri9 n ASP 61 Ca 0.00 0.12 -0.29 0.00 0.71 0.00 0.00 54.79 55.33 1ri9 n ASP 61 Cb 0.00 -0.30 -0.06 0.00 -0.02 0.00 0.00 41.12 40.74 1ri9 n ASP 61 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1ri9 n THR 62 N -3.47 2.87 -3.67 -3.53 -1.04 -1.26 -5.00 114.28 99.19 1ri9 n THR 62 Ca -0.03 -5.37 -0.10 0.00 -2.04 0.00 0.00 64.05 56.51 1ri9 n THR 62 Cb 0.20 -1.98 -0.09 0.00 -1.82 0.00 0.00 70.33 66.64 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 -2.71 0.56 -0.09 -2.82 2.47 -1.26 -3.11 119.74 112.78 1ri9 s LYS 63 Ca 0.40 0.96 0.04 0.00 -1.56 0.00 0.00 55.97 55.82 1ri9 s LYS 63 Cb 0.16 0.10 0.00 0.00 -1.46 0.00 0.00 37.83 36.63 1ri9 s LYS 63 CO -0.02 -0.14 -0.22 0.14 0.16 0.00 0.00 175.35 175.27 1ri9 s VAL 64 N 1.32 1.89 -0.17 4.02 -7.23 -1.11 -0.08 120.40 119.04 1ri9 s VAL 64 Ca -0.08 -0.93 -0.22 0.00 -1.81 0.00 0.00 61.98 58.94 1ri9 s VAL 64 Cb -0.06 -1.64 -0.02 0.00 0.56 0.00 0.00 36.38 35.21 1ri9 s VAL 64 CO -0.13 0.52 0.68 -0.22 -0.31 0.00 0.00 175.10 175.64 1ri9 s LEU 65 N 0.34 4.18 0.39 1.32 2.96 -1.20 -2.23 118.68 124.44 1ri9 s LEU 65 Ca -0.17 0.96 -0.05 0.00 -0.22 0.00 0.00 54.13 54.65 1ri9 s LEU 65 Cb -0.17 -2.99 -0.05 0.00 0.50 0.00 0.00 46.19 43.48 1ri9 s LEU 65 CO 0.08 -0.28 0.68 0.00 -1.32 0.00 0.00 176.35 175.51 1ri9 s ARG 67 N -4.15 0.58 -0.10 0.00 3.52 -0.39 -1.51 118.95 116.90 1ri9 s ARG 67 Ca 0.46 -0.57 0.03 0.00 -0.13 0.00 0.00 55.73 55.52 1ri9 s ARG 67 Cb -0.10 -0.47 -0.00 0.00 -1.56 0.00 0.00 34.95 32.81 1ri9 s ARG 67 CO 0.36 0.11 -0.22 1.21 -0.81 0.00 0.00 175.30 175.96 1ri9 s ASN 68 N -1.01 3.30 0.57 -2.12 2.47 0.46 -3.61 114.94 115.00 1ri9 s ASN 68 Ca -0.04 -0.50 0.27 0.00 0.42 0.00 0.00 52.86 53.02 1ri9 s ASN 68 Cb -0.07 -1.38 1.48 0.00 -1.45 0.00 0.00 41.25 39.83 1ri9 s ASN 68 CO 0.00 0.17 1.81 -0.08 -3.72 0.00 0.00 177.10 175.29 1ri9 h GLU 69 N 6.61 0.00 0.00 0.43 4.81 -2.01 0.83 114.58 125.25 1ri9 h GLU 69 Ca -0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1ri9 h GLU 69 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1ri9 h GLU 69 CO 0.49 0.00 0.00 -1.91 -0.73 0.00 0.00 179.01 176.86 1ri9 n GLU 70 N -2.68 0.35 -0.59 1.92 4.07 -1.26 -4.82 120.64 117.63 1ri9 n GLU 70 Ca -0.02 0.08 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 1ri9 n GLU 70 Cb 0.31 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.19 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 0.40 0.65 3.32 8.31 0.00 0.29 -4.74 105.19 113.41 1ri9 n GLY 71 Ca 0.11 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.99 3.35 0.26 1.61 2.20 -1.09 -3.50 119.74 121.58 1ri9 s LYS 72 Ca 0.00 -0.67 0.06 0.00 -0.36 0.00 0.00 55.97 55.00 1ri9 s LYS 72 Cb 0.00 -2.81 -0.03 0.00 -1.51 0.00 0.00 37.83 33.48 1ri9 s LYS 72 CO 0.00 -0.03 0.33 0.71 -0.36 0.00 0.00 175.35 176.01 1ri9 s TYR 73 N 0.98 3.29 0.13 4.03 1.51 -1.26 -0.41 117.35 125.63 1ri9 s TYR 73 Ca -0.01 -0.08 -0.20 0.00 -1.01 0.00 0.00 57.07 55.77 1ri9 s TYR 73 Cb -0.15 -1.60 0.05 0.00 -0.11 0.00 0.00 41.96 40.15 1ri9 s TYR 73 CO -0.01 0.38 0.50 0.20 -1.11 0.00 0.00 175.55 175.51 1ri9 s GLY 74 N -3.98 -0.43 0.08 0.71 0.00 -0.57 -4.87 107.32 98.26 1ri9 s GLY 74 Ca 0.36 0.24 0.02 0.00 0.00 0.00 0.00 44.72 45.34 1ri9 s GLY 74 CO 0.28 -0.06 0.11 -0.19 0.00 0.00 0.00 173.10 173.25 1ri9 s TYR 75 N -3.66 3.27 -0.04 1.90 2.02 -0.48 0.87 117.35 121.24 1ri9 s TYR 75 Ca 0.01 0.12 -0.01 0.00 -0.37 0.00 0.00 57.07 56.83 1ri9 s TYR 75 Cb 0.00 -1.65 0.03 0.00 -0.40 0.00 0.00 41.96 39.94 1ri9 s TYR 75 CO -0.12 0.54 0.03 0.54 -1.57 0.00 0.00 175.55 174.97 1ri9 s VAL 76 N -1.43 0.06 0.29 0.71 0.11 -0.94 -3.24 120.40 115.96 1ri9 s VAL 76 Ca 0.31 0.23 -0.28 0.00 -2.93 0.00 0.00 61.98 59.31 1ri9 s VAL 76 Cb -0.12 -0.23 -0.09 0.00 -1.53 0.00 0.00 36.38 34.41 1ri9 s VAL 76 CO 0.24 0.16 1.00 -0.22 -3.33 0.00 0.00 175.10 172.95 1ri9 s LEU 77 N 1.55 4.47 0.65 2.54 0.20 -1.26 -2.73 118.68 124.10 1ri9 s LEU 77 Ca -0.03 2.03 0.36 0.00 0.69 0.00 0.00 54.13 57.18 1ri9 s LEU 77 Cb -0.13 -3.79 1.98 0.00 -0.43 0.00 0.00 46.19 43.82 1ri9 s LEU 77 CO -0.03 -0.08 2.16 0.08 -0.29 0.00 0.00 176.35 178.19 1ri9 h ARG 78 N 3.58 0.00 0.03 1.98 -0.00 -1.93 -2.46 114.38 115.58 1ri9 h ARG 78 Ca -0.46 0.00 0.02 0.00 -0.00 0.00 0.00 59.98 59.54 1ri9 h ARG 78 Cb 1.20 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 31.12 1ri9 h ARG 78 CO 0.66 0.00 -0.53 1.03 -0.00 0.00 0.00 179.97 181.13 1ri9 h SER 79 N 0.00 -1.62 -3.63 0.08 0.87 -1.90 -3.29 113.55 104.05 1ri9 h SER 79 Ca 0.02 0.18 -0.66 0.00 -1.23 0.00 0.00 61.79 60.10 1ri9 h SER 79 Cb 0.34 0.61 -0.39 0.00 -0.44 0.00 0.00 62.40 62.52 1ri9 h SER 79 CO -0.00 -0.53 -0.44 -0.72 -0.53 0.00 0.00 176.83 174.61 1ri9 s TYR 80 N -5.76 3.53 0.20 2.24 -0.85 -0.93 -5.03 117.35 110.76 1ri9 s TYR 80 Ca -0.16 -3.13 -0.22 0.00 -0.52 0.00 0.00 57.07 53.04 1ri9 s TYR 80 Cb 0.07 -2.95 0.07 0.00 0.38 0.00 0.00 41.96 39.52 1ri9 s TYR 80 CO 0.61 -0.68 0.96 -1.17 -1.52 0.00 0.00 175.55 173.74 1ri9 s LEU 81 N -0.94 -0.09 0.82 -3.49 2.96 -1.24 -3.94 118.68 112.76 1ri9 s LEU 81 Ca 0.22 -0.62 -0.10 0.00 -0.22 0.00 0.00 54.13 53.41 1ri9 s LEU 81 Cb -0.13 2.25 0.12 0.00 0.50 0.00 0.00 46.19 48.93 1ri9 s LEU 81 CO -0.10 -1.06 1.15 0.00 -1.32 0.00 0.00 176.35 175.03 1ri9 s ALA 82 N -2.77 2.80 -1.54 5.97 0.00 -1.25 -4.74 121.76 120.23 1ri9 s ALA 82 Ca 0.16 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1ri9 s ALA 82 Cb -0.03 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.43 1ri9 s ALA 82 CO 0.05 -1.79 0.39 -0.40 0.00 0.00 0.00 175.76 174.00