#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 -0.33 3.44 1.79 -2.00 -3.09 116.57 116.38 1ri9 h LYS 8 Ca 0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 1ri9 h LYS 8 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 1ri9 h LYS 8 CO 0.00 0.79 -0.05 1.49 -1.08 0.00 0.00 179.45 180.61 1ri9 h GLU 9 N 0.00 0.53 -0.02 3.15 4.57 -1.95 -1.97 114.58 118.89 1ri9 h GLU 9 Ca -0.01 -0.13 -0.09 0.00 -1.18 0.00 0.00 59.36 57.95 1ri9 h GLU 9 Cb 1.44 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.95 1ri9 h GLU 9 CO 0.10 0.59 -0.41 1.49 -1.18 0.00 0.00 179.01 179.60 1ri9 h GLU 10 N 0.50 0.05 -0.33 1.92 4.81 -1.38 -2.41 114.58 117.74 1ri9 h GLU 10 Ca 0.10 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1ri9 h GLU 10 Cb 0.40 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1ri9 h GLU 10 CO 0.02 0.46 0.22 0.87 -0.73 0.00 0.00 179.01 179.85 1ri9 h LYS 11 N 0.04 0.39 -0.61 1.92 6.56 -1.34 -0.16 116.57 123.36 1ri9 h LYS 11 Ca 0.00 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.55 1ri9 h LYS 11 Cb 0.75 -0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 32.30 1ri9 h LYS 11 CO 0.06 0.26 0.32 0.22 -2.06 0.00 0.00 179.45 178.24 1ri9 h ASP 12 N 0.40 0.79 0.13 0.86 1.82 -1.40 0.36 116.42 119.38 1ri9 h ASP 12 Ca 0.13 -0.11 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 1ri9 h ASP 12 Cb 0.02 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 39.83 1ri9 h ASP 12 CO -0.03 0.67 -0.06 0.15 -1.61 0.00 0.00 179.24 178.36 1ri9 h PHE 13 N 0.84 -0.17 0.00 0.28 3.04 -1.21 -2.95 116.94 116.77 1ri9 h PHE 13 Ca 0.21 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.16 1ri9 h PHE 13 Cb 0.08 0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.64 1ri9 h PHE 13 CO -0.00 0.20 -0.00 -0.09 -2.02 0.00 0.00 178.31 176.39 1ri9 h ARG 14 N -0.57 0.00 0.45 1.11 2.43 -0.98 2.37 114.38 119.20 1ri9 h ARG 14 Ca -0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1ri9 h ARG 14 Cb 0.44 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1ri9 h ARG 14 CO 0.03 0.00 -0.48 -0.22 -1.51 0.00 0.00 179.97 177.80 1ri9 h LYS 15 N 0.00 -0.91 0.04 0.20 3.11 -0.11 0.38 116.57 119.28 1ri9 h LYS 15 Ca -0.00 0.06 -0.27 0.00 -2.81 0.00 0.00 60.65 57.63 1ri9 h LYS 15 Cb 0.01 0.21 -0.03 0.00 -1.00 0.00 0.00 32.23 31.41 1ri9 h LYS 15 CO 0.00 -0.60 -1.41 -0.22 -2.81 0.00 0.00 179.45 174.41 1ri9 h LYS 16 N -0.94 0.09 -1.00 1.90 1.63 -1.40 -3.28 116.57 113.57 1ri9 h LYS 16 Ca -0.05 -0.16 -0.18 0.00 -0.85 0.00 0.00 60.65 59.41 1ri9 h LYS 16 Cb 0.83 0.06 -0.11 0.00 -0.60 0.00 0.00 32.23 32.41 1ri9 h LYS 16 CO -0.08 0.90 0.23 1.19 -3.45 0.00 0.00 179.45 178.24 1ri9 n PHE 17 N -3.30 1.12 0.00 1.91 3.01 0.80 -4.61 117.46 116.38 1ri9 n PHE 17 Ca -0.11 -0.97 0.00 0.00 1.01 0.00 0.00 57.45 57.38 1ri9 n PHE 17 Cb 1.01 -0.50 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 -0.09 0.00 -1.86 -1.08 2.85 0.13 -4.42 118.16 113.68 1ri9 n LYS 18 Ca 0.22 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 57.05 1ri9 n LYS 18 Cb 0.92 -0.85 -0.03 0.00 -0.65 0.00 0.00 35.03 34.42 1ri9 n LYS 18 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1ri9 s TYR 19 N -0.16 1.88 -0.60 5.58 5.04 -1.26 -4.95 117.35 122.89 1ri9 s TYR 19 Ca 0.00 0.00 -0.16 0.00 -2.44 0.00 0.00 57.07 54.48 1ri9 s TYR 19 Cb 0.00 -4.05 0.15 0.00 0.35 0.00 0.00 41.96 38.41 1ri9 s TYR 19 CO 0.00 -4.47 0.55 0.34 -1.34 0.00 0.00 175.55 170.64 1ri9 s ASP 20 N 3.42 6.30 0.00 4.32 2.15 -1.26 -4.99 116.67 126.60 1ri9 s ASP 20 Ca 0.79 -1.96 0.00 0.00 0.43 0.00 0.00 52.55 51.80 1ri9 s ASP 20 Cb -0.39 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 1ri9 s ASP 20 CO 0.34 -0.81 0.00 0.61 -0.17 0.00 0.00 175.17 175.15 1ri9 n GLY 21 N 5.00 3.16 3.27 2.66 0.00 -1.26 -5.11 105.19 112.91 1ri9 n GLY 21 Ca -0.09 -1.37 -0.44 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 -1.96 3.21 -0.34 1.61 2.12 -1.26 -5.02 118.70 117.06 1ri9 s GLU 22 Ca 0.00 -2.33 -0.28 0.00 0.36 0.00 0.00 54.97 52.72 1ri9 s GLU 22 Cb 0.00 -4.22 -0.02 0.00 0.26 0.00 0.00 34.13 30.15 1ri9 s GLU 22 CO 0.00 -1.26 1.82 0.42 -0.54 0.00 0.00 175.26 175.70 1ri9 s ILE 23 N 0.39 3.45 -0.23 -3.70 1.01 -1.26 -4.88 121.20 115.98 1ri9 s ILE 23 Ca 0.15 0.45 -0.05 0.00 0.00 0.00 0.00 60.65 61.19 1ri9 s ILE 23 Cb -0.16 -3.63 0.11 0.00 0.01 0.00 0.00 42.46 38.80 1ri9 s ILE 23 CO -0.06 -0.42 0.44 -0.60 0.00 0.00 0.00 174.94 174.30 1ri9 s ARG 24 N 5.77 0.37 -0.58 2.79 6.06 -1.26 -5.09 118.95 127.00 1ri9 s ARG 24 Ca 0.80 0.90 -0.26 0.00 -2.50 0.00 0.00 55.73 54.67 1ri9 s ARG 24 Cb -0.22 0.13 -0.04 0.00 0.06 0.00 0.00 34.95 34.88 1ri9 s ARG 24 CO 0.33 -0.40 2.06 0.08 -2.50 0.00 0.00 175.30 174.87 1ri9 s VAL 25 N 2.63 3.23 -0.20 7.11 1.01 -1.26 -4.50 120.40 128.42 1ri9 s VAL 25 Ca 0.04 0.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 1ri9 s VAL 25 Cb -0.13 -3.61 -0.20 0.00 0.00 0.00 0.00 36.38 32.44 1ri9 s VAL 25 CO -0.15 -0.59 0.15 -0.11 0.00 0.00 0.00 175.10 174.40 1ri9 n LEU 26 N 13.92 2.07 -3.80 3.92 0.00 -1.21 -4.75 117.00 127.15 1ri9 n LEU 26 Ca 0.26 0.35 -0.30 0.00 0.00 0.00 0.00 56.01 56.33 1ri9 n LEU 26 Cb 0.53 -0.98 -0.13 0.00 0.00 0.00 0.00 43.42 42.84 1ri9 n LEU 26 CO 0.71 0.46 -0.22 -0.72 0.00 0.00 0.00 177.39 177.62 1ri9 s TYR 27 N -2.43 2.47 -0.36 1.96 1.13 -1.25 -5.07 117.35 113.79 1ri9 s TYR 27 Ca -0.29 -2.74 -0.29 0.00 -1.41 0.00 0.00 57.07 52.35 1ri9 s TYR 27 Cb 0.07 -2.25 -0.00 0.00 -1.10 0.00 0.00 41.96 38.68 1ri9 s TYR 27 CO 0.62 -0.76 1.57 -1.54 -2.51 0.00 0.00 175.55 172.92 1ri9 s SER 28 N 0.05 6.19 0.42 -0.18 1.04 -1.26 -4.03 113.70 115.93 1ri9 s SER 28 Ca 0.18 1.09 -0.04 0.00 0.48 0.00 0.00 55.95 57.66 1ri9 s SER 28 Cb -0.24 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.31 1ri9 s SER 28 CO -0.01 -1.51 0.69 0.28 0.98 0.00 0.00 173.24 173.68 1ri9 s THR 29 N 5.91 4.98 -0.13 2.02 -1.32 -1.23 -4.77 115.64 121.10 1ri9 s THR 29 Ca 0.69 -0.01 -0.05 0.00 -1.21 0.00 0.00 61.69 61.10 1ri9 s THR 29 Cb -0.18 -3.85 -0.04 0.00 -1.51 0.00 0.00 72.50 66.92 1ri9 s THR 29 CO 0.32 -0.70 0.07 -0.75 -2.21 0.00 0.00 174.62 171.35 1ri9 s LYS 30 N -4.48 3.43 -0.09 7.08 2.36 -1.26 -3.33 119.74 123.46 1ri9 s LYS 30 Ca 0.45 -0.29 -0.30 0.00 -2.55 0.00 0.00 55.97 53.28 1ri9 s LYS 30 Cb -0.10 -3.06 -0.04 0.00 -1.05 0.00 0.00 37.83 33.59 1ri9 s LYS 30 CO 0.40 0.61 1.43 0.08 1.55 0.00 0.00 175.35 179.43 1ri9 s VAL 31 N -0.58 3.90 1.08 4.02 1.01 0.73 -3.87 120.40 126.69 1ri9 s VAL 31 Ca 0.11 1.14 -0.18 0.00 0.00 0.00 0.00 61.98 63.05 1ri9 s VAL 31 Cb -0.12 -3.74 0.25 0.00 0.00 0.00 0.00 36.38 32.77 1ri9 s VAL 31 CO 0.02 -0.08 1.23 0.28 0.00 0.00 0.00 175.10 176.56 1ri9 s THR 32 N 3.42 1.81 -0.67 3.92 -1.32 -1.26 -0.73 115.64 120.81 1ri9 s THR 32 Ca 0.64 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.37 1ri9 s THR 32 Cb -0.28 -2.77 0.28 0.00 -1.51 0.00 0.00 72.50 68.21 1ri9 s THR 32 CO 0.23 0.00 1.70 0.00 -2.21 0.00 0.00 174.62 174.34 1ri9 h THR 33 N -2.10 0.00 -0.55 5.08 1.03 -1.94 0.97 112.91 115.39 1ri9 h THR 33 Ca -0.44 -0.58 0.00 0.00 -0.01 0.00 0.00 66.41 65.38 1ri9 h THR 33 Cb 1.26 1.54 0.00 0.00 -1.07 0.00 0.00 68.15 69.88 1ri9 h THR 33 CO 0.34 0.00 0.00 -0.24 -0.01 0.00 0.00 175.52 175.61 1ri9 n SER 34 N -2.41 3.81 -4.61 0.00 2.88 -1.26 -4.77 113.62 107.26 1ri9 n SER 34 Ca 0.05 -2.28 -0.29 0.00 -1.33 0.00 0.00 58.87 55.03 1ri9 n SER 34 Cb 0.45 -0.49 0.18 0.00 -0.75 0.00 0.00 64.21 63.60 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 -1.65 1.97 -0.15 2.46 -1.16 -1.14 -4.61 121.20 116.91 1ri9 s ILE 35 Ca 0.42 0.00 -0.29 0.00 -0.51 0.00 0.00 60.65 60.26 1ri9 s ILE 35 Cb 0.26 -2.52 -0.03 0.00 0.61 0.00 0.00 42.46 40.77 1ri9 s ILE 35 CO 0.22 0.00 1.53 0.28 -2.81 0.00 0.00 174.94 174.16 1ri9 s THR 36 N -3.01 3.81 -0.01 4.00 -1.32 -1.24 -4.62 115.64 113.25 1ri9 s THR 36 Ca 0.66 0.96 0.01 0.00 -1.21 0.00 0.00 61.69 62.11 1ri9 s THR 36 Cb -0.17 -3.71 -0.02 0.00 -1.51 0.00 0.00 72.50 67.09 1ri9 s THR 36 CO 0.57 -0.19 0.01 -1.54 -2.21 0.00 0.00 174.62 171.26 1ri9 n SER 37 N 7.53 4.71 -0.11 8.08 3.41 -1.26 -4.40 113.62 131.58 1ri9 n SER 37 Ca 0.17 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.56 1ri9 n SER 37 Cb 0.44 0.61 -0.08 0.00 -0.26 0.00 0.00 64.21 64.92 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 -1.97 0.47 -2.08 4.33 2.85 -1.26 -4.94 118.16 115.56 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 0.46 -1.30 -0.03 0.00 -0.65 0.00 0.00 35.03 33.51 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 -2.40 4.24 -0.07 -1.58 2.47 -1.26 -4.99 119.74 116.15 1ri9 s LYS 39 Ca -0.30 2.14 -0.04 0.00 -1.56 0.00 0.00 55.97 56.21 1ri9 s LYS 39 Cb 0.11 -3.58 0.04 0.00 -1.46 0.00 0.00 37.83 32.94 1ri9 s LYS 39 CO 0.40 -0.65 0.17 -1.58 0.16 0.00 0.00 175.35 173.85 1ri9 s TRP 40 N 2.50 -0.20 0.27 4.03 0.23 -1.26 -4.85 118.94 119.66 1ri9 s TRP 40 Ca 0.68 0.53 0.11 0.00 -2.03 0.00 0.00 56.10 55.40 1ri9 s TRP 40 Cb -0.35 -0.04 -0.05 0.00 0.03 0.00 0.00 33.47 33.05 1ri9 s TRP 40 CO 0.29 -0.17 -0.15 0.20 0.96 0.00 0.00 176.95 178.08 1ri9 s GLY 41 N 1.08 1.82 0.38 0.98 0.00 -1.26 -4.98 107.32 105.34 1ri9 s GLY 41 Ca -0.08 -1.81 0.09 0.00 0.00 0.00 0.00 44.72 42.91 1ri9 s GLY 41 CO -0.06 -1.89 1.95 -0.91 0.00 0.00 0.00 173.10 172.19 1ri9 h THR 42 N 2.18 0.95 -0.40 0.90 1.35 -2.01 0.34 112.91 116.21 1ri9 h THR 42 Ca -0.41 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1ri9 h THR 42 Cb 1.26 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1ri9 h THR 42 CO 0.60 0.12 0.00 0.54 -0.25 0.00 0.00 175.52 176.53 1ri9 n ARG 43 N -4.49 2.27 -3.92 4.72 1.74 -1.26 -4.91 116.66 110.81 1ri9 n ARG 43 Ca 0.12 -1.94 -0.21 0.00 -0.77 0.00 0.00 57.85 55.04 1ri9 n ARG 43 Cb 0.32 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 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 -1.34 5.62 0.21 0.55 2.15 0.12 -2.27 116.67 121.71 1ri9 s ASP 44 Ca 0.37 -0.27 0.03 0.00 0.43 0.00 0.00 52.55 53.11 1ri9 s ASP 44 Cb 0.21 -1.31 -0.03 0.00 -0.30 0.00 0.00 42.92 41.48 1ri9 s ASP 44 CO 0.29 -0.19 0.36 -0.22 -0.17 0.00 0.00 175.17 175.23 1ri9 s LEU 45 N -3.95 4.28 -0.23 -1.34 2.96 -1.22 -4.57 118.68 114.61 1ri9 s LEU 45 Ca 0.37 0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.50 1ri9 s LEU 45 Cb -0.08 -2.98 0.30 0.00 0.50 0.00 0.00 46.19 43.94 1ri9 s LEU 45 CO 0.27 -0.04 1.52 1.67 -1.32 0.00 0.00 176.35 178.44 1ri9 n GLN 46 N -1.01 1.62 -0.87 1.98 7.27 -1.26 -4.81 117.38 120.29 1ri9 n GLN 46 Ca -0.07 -1.43 -0.31 0.00 0.07 0.00 0.00 57.00 55.26 1ri9 n GLN 46 Cb 0.55 -1.56 0.15 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 -1.65 2.45 0.21 1.69 -7.23 -1.26 -5.04 120.40 109.56 1ri9 s VAL 47 Ca 0.27 0.15 0.11 0.00 -1.81 0.00 0.00 61.98 60.70 1ri9 s VAL 47 Cb 0.23 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 1ri9 s VAL 47 CO 0.04 -0.19 -0.18 -1.59 -0.31 0.00 0.00 175.10 172.87 1ri9 s LYS 48 N -4.73 1.75 0.07 4.82 -2.85 -1.26 -4.63 119.74 112.91 1ri9 s LYS 48 Ca 0.65 -1.49 -0.30 0.00 -1.00 0.00 0.00 55.97 53.83 1ri9 s LYS 48 Cb -0.21 -1.94 -0.06 0.00 -2.06 0.00 0.00 37.83 33.56 1ri9 s LYS 48 CO 0.58 0.40 1.16 -1.25 0.10 0.00 0.00 175.35 176.33 1ri9 s PRO 49 N -2.92 4.47 0.00 1.78 0.04 -1.26 -3.02 135.00 134.10 1ri9 s PRO 49 Ca 0.24 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1ri9 s PRO 49 Cb -0.08 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1ri9 s PRO 49 CO 0.13 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.40 1ri9 n GLY 50 N 2.98 0.84 4.01 0.56 0.00 0.33 -4.65 105.19 109.26 1ri9 n GLY 50 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.97 2.70 -0.10 1.61 2.12 -0.93 -4.86 118.70 118.27 1ri9 s GLU 51 Ca 0.00 -1.35 0.03 0.00 0.36 0.00 0.00 54.97 54.02 1ri9 s GLU 51 Cb 0.00 -2.72 0.01 0.00 0.26 0.00 0.00 34.13 31.68 1ri9 s GLU 51 CO 0.00 -0.41 -0.20 0.45 -0.54 0.00 0.00 175.26 174.56 1ri9 s SER 52 N -4.42 2.71 0.04 -1.70 0.15 -1.26 0.26 113.70 109.48 1ri9 s SER 52 Ca 0.56 -0.49 -0.03 0.00 0.70 0.00 0.00 55.95 56.69 1ri9 s SER 52 Cb -0.09 -1.24 -0.02 0.00 -1.71 0.00 0.00 66.02 62.96 1ri9 s SER 52 CO 0.34 0.11 0.03 -0.22 1.20 0.00 0.00 173.24 174.70 1ri9 s LEU 53 N 0.54 2.08 0.11 3.45 1.98 -1.21 -4.92 118.68 120.70 1ri9 s LEU 53 Ca -0.15 -0.64 -0.30 0.00 -2.89 0.00 0.00 54.13 50.14 1ri9 s LEU 53 Cb -0.17 0.38 -0.06 0.00 0.66 0.00 0.00 46.19 47.00 1ri9 s LEU 53 CO 0.05 -0.48 1.16 -1.61 -1.89 0.00 0.00 176.35 173.58 1ri9 s GLU 54 N -2.66 4.50 -0.16 1.98 2.02 -1.25 -3.52 118.70 119.60 1ri9 s GLU 54 Ca -0.05 1.75 -0.08 0.00 0.02 0.00 0.00 54.97 56.61 1ri9 s GLU 54 Cb -0.01 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 1ri9 s GLU 54 CO -0.05 -0.12 0.11 0.08 0.02 0.00 0.00 175.26 175.30 1ri9 s VAL 55 N 0.50 5.22 0.00 2.63 1.01 -1.26 -1.94 120.40 126.57 1ri9 s VAL 55 Ca 0.55 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1ri9 s VAL 55 Cb -0.29 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1ri9 s VAL 55 CO 0.32 0.52 0.00 -0.38 0.00 0.00 0.00 175.10 175.56 1ri9 n ILE 56 N 2.89 0.00 -3.52 2.22 5.41 0.18 -3.35 119.36 123.18 1ri9 n ILE 56 Ca -0.18 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.32 1ri9 n ILE 56 Cb 0.53 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.44 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 3.11 3.52 -0.07 0.38 -1.52 -1.26 -4.58 119.66 119.25 1ri9 s GLN 57 Ca 0.00 -0.31 -0.30 0.00 -1.95 0.00 0.00 55.36 52.80 1ri9 s GLN 57 Cb 0.00 -2.74 -0.05 0.00 -0.22 0.00 0.00 33.01 30.00 1ri9 s GLN 57 CO 0.00 0.27 1.66 0.95 -0.25 0.00 0.00 175.29 177.92 1ri9 s THR 58 N -2.10 3.58 0.00 -0.19 -4.23 -1.25 -3.38 115.64 108.06 1ri9 s THR 58 Ca 0.40 0.69 0.00 0.00 -1.18 0.00 0.00 61.69 61.60 1ri9 s THR 58 Cb -0.10 -3.46 0.00 0.00 1.34 0.00 0.00 72.50 70.27 1ri9 s THR 58 CO 0.32 -0.08 0.81 0.41 -0.54 0.00 0.00 174.62 175.54 1ri9 n THR 59 N 5.59 0.00 0.00 3.99 -1.04 0.86 -4.79 114.28 118.89 1ri9 n THR 59 Ca 0.18 1.31 0.00 0.00 -2.04 0.00 0.00 64.05 63.49 1ri9 n THR 59 Cb 0.43 -2.15 0.00 0.00 -1.82 0.00 0.00 70.33 66.79 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 -1.66 0.00 0.02 8.00 2.03 -1.26 -5.02 116.55 118.65 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 1.04 -3.42 1.67 8.00 -1.26 -4.88 116.55 117.70 1ri9 n ASP 61 Ca 0.00 0.14 -0.28 0.00 0.71 0.00 0.00 54.79 55.37 1ri9 n ASP 61 Cb 0.00 -0.34 -0.07 0.00 -0.02 0.00 0.00 41.12 40.69 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 -3.54 2.54 -3.68 -3.53 -1.04 -1.26 -4.99 114.28 98.79 1ri9 n THR 62 Ca -0.03 -5.28 -0.09 0.00 -2.04 0.00 0.00 64.05 56.61 1ri9 n THR 62 Cb 0.16 -2.06 -0.09 0.00 -1.82 0.00 0.00 70.33 66.52 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 -2.56 0.51 -0.10 -2.82 2.20 -1.26 -2.86 119.74 112.86 1ri9 s LYS 63 Ca 0.40 0.94 0.03 0.00 -0.36 0.00 0.00 55.97 56.98 1ri9 s LYS 63 Cb 0.15 0.05 -0.01 0.00 -1.51 0.00 0.00 37.83 36.51 1ri9 s LYS 63 CO -0.01 -0.15 -0.19 0.14 -0.36 0.00 0.00 175.35 174.78 1ri9 s VAL 64 N 1.43 2.58 -0.11 4.02 -7.23 -1.11 -0.10 120.40 119.88 1ri9 s VAL 64 Ca -0.09 -0.85 -0.22 0.00 -1.81 0.00 0.00 61.98 59.00 1ri9 s VAL 64 Cb -0.07 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 1ri9 s VAL 64 CO -0.15 0.55 0.66 -0.22 -0.31 0.00 0.00 175.10 175.64 1ri9 s LEU 65 N 0.11 4.27 0.24 1.32 2.96 -1.22 -2.45 118.68 123.91 1ri9 s LEU 65 Ca -0.09 1.06 -0.09 0.00 -0.22 0.00 0.00 54.13 54.79 1ri9 s LEU 65 Cb -0.15 -3.00 -0.07 0.00 0.50 0.00 0.00 46.19 43.47 1ri9 s LEU 65 CO 0.06 -0.15 0.56 0.00 -1.32 0.00 0.00 176.35 175.49 1ri9 s ARG 67 N -2.94 0.07 -0.03 0.00 3.52 -0.82 -1.42 118.95 117.33 1ri9 s ARG 67 Ca 0.47 0.11 0.07 0.00 -0.13 0.00 0.00 55.73 56.25 1ri9 s ARG 67 Cb -0.11 -0.26 -0.02 0.00 -1.56 0.00 0.00 34.95 33.00 1ri9 s ARG 67 CO 0.23 -0.12 -0.24 0.54 -0.81 0.00 0.00 175.30 174.90 1ri9 s ASN 68 N 0.81 2.84 0.10 -2.12 4.22 -0.97 -3.83 114.94 116.00 1ri9 s ASN 68 Ca -0.07 -0.45 0.05 0.00 -2.14 0.00 0.00 52.86 50.25 1ri9 s ASN 68 Cb -0.10 -0.47 0.29 0.00 1.28 0.00 0.00 41.25 42.24 1ri9 s ASN 68 CO -0.02 0.27 1.06 1.21 -2.04 0.00 0.00 177.10 177.58 1ri9 n GLU 69 N 2.66 0.04 0.00 3.55 2.13 -1.26 -1.01 120.64 126.74 1ri9 n GLU 69 Ca -0.16 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.10 1ri9 n GLU 69 Cb 0.52 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 30.47 1ri9 n GLU 69 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1ri9 n GLU 70 N -1.62 0.00 -0.65 5.31 2.13 -1.26 -4.74 120.64 119.81 1ri9 n GLU 70 Ca -0.00 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.26 1ri9 n GLU 70 Cb 0.15 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.36 1ri9 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ri9 n GLY 71 N -1.45 0.67 3.31 8.31 0.00 -0.18 -4.98 105.19 110.87 1ri9 n GLY 71 Ca 0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.44 1.19 0.42 1.61 2.36 -1.20 -2.30 119.74 121.38 1ri9 s LYS 72 Ca 0.00 -1.25 0.07 0.00 -2.55 0.00 0.00 55.97 52.24 1ri9 s LYS 72 Cb 0.00 -1.40 -0.05 0.00 -1.05 0.00 0.00 37.83 35.33 1ri9 s LYS 72 CO 0.00 0.31 0.17 0.71 1.55 0.00 0.00 175.35 178.09 1ri9 s TYR 73 N -1.45 2.54 0.11 4.03 1.51 -1.26 -2.30 117.35 120.53 1ri9 s TYR 73 Ca 0.10 -0.61 -0.21 0.00 -1.01 0.00 0.00 57.07 55.33 1ri9 s TYR 73 Cb -0.09 -1.94 0.06 0.00 -0.11 0.00 0.00 41.96 39.88 1ri9 s TYR 73 CO 0.05 0.18 0.53 0.20 -1.11 0.00 0.00 175.55 175.40 1ri9 s GLY 74 N -3.90 -0.47 0.12 0.71 0.00 -0.50 -4.89 107.32 98.37 1ri9 s GLY 74 Ca 0.39 0.42 0.04 0.00 0.00 0.00 0.00 44.72 45.58 1ri9 s GLY 74 CO 0.22 0.12 0.09 -0.19 0.00 0.00 0.00 173.10 173.34 1ri9 s TYR 75 N -3.27 3.15 -0.06 1.90 2.02 -0.96 0.74 117.35 120.87 1ri9 s TYR 75 Ca -0.01 0.03 -0.02 0.00 -0.37 0.00 0.00 57.07 56.70 1ri9 s TYR 75 Cb -0.00 -1.57 0.04 0.00 -0.40 0.00 0.00 41.96 40.03 1ri9 s TYR 75 CO -0.08 0.52 0.11 0.08 -1.57 0.00 0.00 175.55 174.61 1ri9 s VAL 76 N -1.54 -0.12 0.28 0.71 1.01 -1.02 -3.39 120.40 116.32 1ri9 s VAL 76 Ca 0.30 0.28 -0.27 0.00 0.00 0.00 0.00 61.98 62.28 1ri9 s VAL 76 Cb -0.11 -0.21 -0.09 0.00 0.00 0.00 0.00 36.38 35.97 1ri9 s VAL 76 CO 0.22 0.11 0.92 -0.22 0.00 0.00 0.00 175.10 176.14 1ri9 s LEU 77 N 1.62 4.49 0.65 3.92 0.20 -1.26 -2.73 118.68 125.56 1ri9 s LEU 77 Ca -0.04 1.86 0.38 0.00 0.69 0.00 0.00 54.13 57.03 1ri9 s LEU 77 Cb -0.12 -3.79 2.13 0.00 -0.43 0.00 0.00 46.19 43.98 1ri9 s LEU 77 CO -0.05 0.05 2.24 0.08 -0.29 0.00 0.00 176.35 178.38 1ri9 h ARG 78 N 3.66 0.00 0.00 1.98 0.11 -1.92 -2.60 114.38 115.61 1ri9 h ARG 78 Ca -0.46 0.00 0.02 0.00 0.10 0.00 0.00 59.98 59.64 1ri9 h ARG 78 Cb 1.20 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.22 1ri9 h ARG 78 CO 0.66 0.00 -0.53 1.03 0.10 0.00 0.00 179.97 181.24 1ri9 h SER 79 N 0.00 -1.62 -3.52 0.08 0.87 -1.91 -3.29 113.55 104.16 1ri9 h SER 79 Ca 0.01 0.18 -0.65 0.00 -1.23 0.00 0.00 61.79 60.11 1ri9 h SER 79 Cb 0.20 0.62 -0.40 0.00 -0.44 0.00 0.00 62.40 62.38 1ri9 h SER 79 CO -0.00 -0.52 -0.48 -0.72 -0.53 0.00 0.00 176.83 174.58 1ri9 s TYR 80 N -5.76 3.54 0.20 2.24 -0.85 -0.98 -5.01 117.35 110.73 1ri9 s TYR 80 Ca -0.16 -3.20 -0.23 0.00 -0.52 0.00 0.00 57.07 52.97 1ri9 s TYR 80 Cb 0.07 -2.88 0.07 0.00 0.38 0.00 0.00 41.96 39.60 1ri9 s TYR 80 CO 0.61 -0.65 0.96 -1.17 -1.52 0.00 0.00 175.55 173.78 1ri9 s LEU 81 N -1.07 -0.09 0.95 -3.49 2.96 -1.24 -3.73 118.68 112.97 1ri9 s LEU 81 Ca 0.23 -0.62 -0.14 0.00 -0.22 0.00 0.00 54.13 53.38 1ri9 s LEU 81 Cb -0.11 2.24 0.17 0.00 0.50 0.00 0.00 46.19 48.99 1ri9 s LEU 81 CO -0.11 -1.06 1.19 0.00 -1.32 0.00 0.00 176.35 175.05 1ri9 s ALA 82 N -2.75 1.89 -1.76 5.97 0.00 -1.25 -4.79 121.76 119.07 1ri9 s ALA 82 Ca 0.16 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1ri9 s ALA 82 Cb -0.03 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1ri9 s ALA 82 CO 0.05 -2.41 0.44 -0.25 0.00 0.00 0.00 175.76 173.58