#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m h THR 11 N 0.00 0.00 -0.30 8.89 2.02 -1.87 -3.31 112.91 118.34 1k9m h THR 11 Ca 0.00 -0.14 0.09 0.00 0.77 0.00 0.00 66.41 67.13 1k9m h THR 11 Cb 0.00 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1k9m h THR 11 CO 0.00 0.00 0.42 1.23 0.37 0.00 0.00 175.52 177.54 1k9m h GLY 12 N 1.05 0.00 2.00 2.16 0.00 -1.94 0.68 103.07 107.03 1k9m h GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1k9m h GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 175.58 1k9m n ARG 13 N -3.48 0.10 0.00 4.80 1.85 -1.25 -2.23 116.66 116.45 1k9m n ARG 13 Ca 0.05 0.39 0.13 0.00 -1.00 0.00 0.00 57.85 57.42 1k9m n ARG 13 Cb 0.56 -1.70 0.47 0.00 -1.05 0.00 0.00 32.46 30.74 1k9m n ARG 13 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1k9m n PHE 14 N -1.89 0.00 -3.83 2.89 0.99 0.23 -5.04 117.46 110.81 1k9m n PHE 14 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 1k9m n PHE 14 Cb 0.16 -0.24 0.00 0.00 -1.00 0.00 0.00 39.48 38.40 1k9m n PHE 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1k9m n GLY 15 N 1.39 2.37 1.29 1.37 0.00 -0.95 -1.56 105.19 109.10 1k9m n GLY 15 Ca 0.10 -0.38 0.01 0.00 0.00 0.00 0.00 46.02 45.75 1k9m n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1k9m n PRO 16 N 12.00 2.76 -3.52 1.61 -0.04 -1.26 -4.94 135.00 141.61 1k9m n PRO 16 Ca 0.00 -1.60 -0.26 0.00 -0.04 0.00 0.00 63.50 61.60 1k9m n PRO 16 Cb 0.00 -1.84 -0.02 0.00 -0.04 0.00 0.00 33.50 31.59 1k9m n PRO 16 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1k9m s ARG 17 N -1.86 3.53 0.00 0.54 0.52 -0.60 -4.67 118.95 116.39 1k9m s ARG 17 Ca 0.28 -0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 1k9m s ARG 17 Cb 0.22 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.95 1k9m s ARG 17 CO 0.08 0.27 0.00 0.66 0.02 0.00 0.00 175.30 176.33 1k9m n TYR 18 N -1.17 0.00 0.00 -0.53 0.53 -1.26 -4.90 117.16 109.84 1k9m n TYR 18 Ca -0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.84 1k9m n TYR 18 Cb 0.55 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.86 1k9m n TYR 18 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1k9m n GLY 19 N 0.00 1.76 0.00 2.72 0.00 -1.26 -4.66 105.19 103.75 1k9m n GLY 19 Ca 0.00 -2.00 -0.00 0.00 0.00 0.00 0.00 46.02 44.02 1k9m n GLY 19 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1k9m h LEU 20 N 0.00 -0.00 -0.66 0.99 3.38 -1.98 -3.10 115.31 113.93 1k9m h LEU 20 Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 1k9m h LEU 20 Cb 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 1k9m h LEU 20 CO 0.00 -0.00 -0.02 0.11 0.09 0.00 0.00 178.44 178.62 1k9m h LYS 21 N -0.00 0.09 0.04 1.13 1.57 -1.99 0.98 116.57 118.39 1k9m h LYS 21 Ca -0.00 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1k9m h LYS 21 Cb 0.00 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1k9m h LYS 21 CO -0.00 0.06 -0.23 0.82 -0.57 0.00 0.00 179.45 179.53 1k9m h ILE 22 N 0.10 0.48 0.00 1.86 2.04 -1.83 -2.45 117.51 117.71 1k9m h ILE 22 Ca 0.35 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.13 1k9m h ILE 22 Cb 0.57 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1k9m h ILE 22 CO -0.59 0.00 -0.47 0.08 0.00 0.00 0.00 178.15 177.17 1k9m h ARG 23 N -0.38 0.00 -0.32 2.37 0.11 -1.45 -2.90 114.38 111.81 1k9m h ARG 23 Ca 0.05 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.08 1k9m h ARG 23 Cb 0.44 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.51 1k9m h ARG 23 CO -0.18 0.32 0.02 0.28 0.10 0.00 0.00 179.97 180.51 1k9m h VAL 24 N 0.00 1.25 0.00 0.08 2.07 -0.75 -0.46 116.25 118.44 1k9m h VAL 24 Ca -0.02 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 1k9m h VAL 24 Cb 1.28 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1k9m h VAL 24 CO 0.04 0.30 -0.31 0.03 0.02 0.00 0.00 177.57 177.65 1k9m h ARG 25 N 0.36 0.00 -0.01 1.57 3.08 -1.52 -0.75 114.38 117.12 1k9m h ARG 25 Ca 0.09 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.91 1k9m h ARG 25 Cb 0.42 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.48 1k9m h ARG 25 CO 0.01 0.31 -0.89 0.28 -1.07 0.00 0.00 179.97 178.61 1k9m h VAL 26 N 0.00 1.33 -0.05 2.04 2.07 -1.29 -1.39 116.25 118.95 1k9m h VAL 26 Ca -0.00 -2.18 -0.01 0.00 0.82 0.00 0.00 66.70 65.33 1k9m h VAL 26 Cb 0.63 2.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1k9m h VAL 26 CO 0.04 0.66 0.01 0.00 0.02 0.00 0.00 177.57 178.30 1k9m h ALA 27 N 0.38 0.07 0.06 1.67 0.00 -0.82 -1.90 119.26 118.71 1k9m h ALA 27 Ca -0.11 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1k9m h ALA 27 Cb 1.56 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 1k9m h ALA 27 CO 0.18 -0.29 -0.20 -0.44 0.00 0.00 0.00 179.25 178.49 1k9m h ASP 28 N -0.16 -0.58 -0.09 0.00 5.19 -1.21 0.26 116.42 119.82 1k9m h ASP 28 Ca 0.02 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1k9m h ASP 28 Cb 0.28 0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.02 1k9m h ASP 28 CO 0.00 -0.28 0.06 0.58 -3.12 0.00 0.00 179.24 176.48 1k9m h VAL 29 N -0.36 1.04 0.00 -1.35 2.07 -1.31 -2.73 116.25 113.61 1k9m h VAL 29 Ca 0.04 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1k9m h VAL 29 Cb 0.40 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1k9m h VAL 29 CO -0.15 0.04 -0.36 -0.33 0.02 0.00 0.00 177.57 176.79 1k9m h GLU 30 N 0.11 0.00 -0.23 1.57 5.08 -1.27 0.99 114.58 120.82 1k9m h GLU 30 Ca 0.03 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 1k9m h GLU 30 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1k9m h GLU 30 CO -0.01 0.36 -0.49 0.97 -1.00 0.00 0.00 179.01 178.84 1k9m h ILE 31 N 0.00 1.30 -0.32 3.13 2.10 -0.38 0.48 117.51 123.82 1k9m h ILE 31 Ca -0.00 -1.70 -0.16 0.00 1.08 0.00 0.00 64.86 64.08 1k9m h ILE 31 Cb 0.91 1.80 -0.01 0.00 -1.09 0.00 0.00 36.82 38.44 1k9m h ILE 31 CO 0.05 0.54 -0.43 0.11 -1.08 0.00 0.00 178.15 177.33 1k9m h LYS 32 N 0.45 0.82 -0.79 2.19 1.57 -1.49 -1.79 116.57 117.53 1k9m h LYS 32 Ca 0.00 -0.45 0.05 0.00 -1.87 0.00 0.00 60.65 58.38 1k9m h LYS 32 Cb 1.10 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.38 1k9m h LYS 32 CO 0.11 1.09 0.49 1.25 -0.57 0.00 0.00 179.45 181.82 1k9m h HIS 33 N 0.66 0.92 -0.01 -1.35 2.76 -0.57 -2.95 115.15 114.60 1k9m h HIS 33 Ca 0.04 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1k9m h HIS 33 Cb 1.01 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.67 1k9m h HIS 33 CO 0.06 0.49 -0.24 1.63 -1.30 0.00 0.00 177.93 178.57 1k9m n LYS 34 N -4.64 1.16 -0.89 5.26 5.02 0.17 -4.73 118.16 119.51 1k9m n LYS 34 Ca 0.10 -0.77 -0.31 0.00 -2.02 0.00 0.00 58.31 55.31 1k9m n LYS 34 Cb 0.13 -1.48 0.14 0.00 -0.02 0.00 0.00 35.03 33.80 1k9m n LYS 34 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1k9m s LYS 35 N -2.37 1.43 0.02 1.97 1.02 -0.69 -4.95 119.74 116.16 1k9m s LYS 35 Ca 0.26 1.41 -0.30 0.00 0.02 0.00 0.00 55.97 57.36 1k9m s LYS 35 Cb 0.19 -1.78 -0.05 0.00 -0.52 0.00 0.00 37.83 35.67 1k9m s LYS 35 CO 0.48 -2.30 1.24 0.15 -0.92 0.00 0.00 175.35 174.00 1k9m s LYS 36 N -4.74 4.38 -0.07 1.68 1.02 -1.26 -4.93 119.74 115.82 1k9m s LYS 36 Ca 0.65 1.78 0.02 0.00 0.02 0.00 0.00 55.97 58.44 1k9m s LYS 36 Cb -0.21 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.63 1k9m s LYS 36 CO 0.57 -0.38 -0.10 -1.01 -0.92 0.00 0.00 175.35 173.52 1k9m s HIS 37 N 1.66 2.85 -0.37 3.18 3.76 -1.23 -4.99 115.29 120.15 1k9m s HIS 37 Ca 0.59 -0.10 -0.26 0.00 -0.15 0.00 0.00 55.06 55.14 1k9m s HIS 37 Cb -0.29 -1.70 0.02 0.00 1.11 0.00 0.00 32.58 31.72 1k9m s HIS 37 CO 0.26 0.23 0.94 0.15 -0.85 0.00 0.00 174.74 175.47 1k9m s LYS 38 N -0.66 3.85 0.38 1.40 1.02 -1.26 -2.07 119.74 122.39 1k9m s LYS 38 Ca 0.10 0.60 -0.28 0.00 0.02 0.00 0.00 55.97 56.41 1k9m s LYS 38 Cb -0.11 -3.80 -0.10 0.00 -0.52 0.00 0.00 37.83 33.29 1k9m s LYS 38 CO 0.01 -0.96 1.42 0.00 -0.92 0.00 0.00 175.35 174.91 1k9m h PRO 40 N 2.97 0.58 0.00 0.00 0.11 -1.95 -3.36 132.00 130.36 1k9m h PRO 40 Ca -0.50 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.50 1k9m h PRO 40 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1k9m h PRO 40 CO 0.64 0.55 0.00 0.28 -0.21 0.00 0.00 178.00 179.26 1k9m n VAL 41 N -4.66 0.00 -1.03 3.15 0.31 -1.26 -4.83 118.33 110.01 1k9m n VAL 41 Ca -0.00 1.19 0.00 0.00 -0.01 0.00 0.00 64.34 65.52 1k9m n VAL 41 Cb 0.14 -2.18 0.00 0.00 -0.91 0.00 0.00 33.84 30.90 1k9m n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k9m n GLY 43 N 5.00 -0.74 3.77 0.00 0.00 -1.26 -4.56 105.19 107.40 1k9m n GLY 43 Ca 0.00 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1k9m n GLY 43 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k9m s PHE 44 N -0.39 2.89 -0.78 1.61 0.40 -1.26 -4.38 117.98 116.06 1k9m s PHE 44 Ca 0.05 1.46 -0.06 0.00 -0.60 0.00 0.00 56.93 57.78 1k9m s PHE 44 Cb 0.03 -3.58 -0.07 0.00 0.51 0.00 0.00 43.02 39.92 1k9m s PHE 44 CO 0.05 -1.85 3.01 1.63 0.70 0.00 0.00 175.22 178.76 1k9m n LYS 45 N 0.09 3.05 -2.10 0.44 5.02 -1.25 0.42 118.16 123.82 1k9m n LYS 45 Ca 0.04 -2.12 -0.23 0.00 -2.02 0.00 0.00 58.31 53.98 1k9m n LYS 45 Cb 0.44 -2.36 0.02 0.00 -0.02 0.00 0.00 35.03 33.12 1k9m n LYS 45 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1k9m n LYS 46 N 2.21 3.51 -3.98 1.97 5.02 -0.88 -4.15 118.16 121.86 1k9m n LYS 46 Ca 0.57 -4.17 -0.35 0.00 -2.02 0.00 0.00 58.31 52.34 1k9m n LYS 46 Cb 0.53 -2.25 -0.12 0.00 -0.02 0.00 0.00 35.03 33.18 1k9m n LYS 46 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1k9m s LEU 47 N -3.60 3.52 0.09 -0.35 1.43 -0.95 -0.90 118.68 117.92 1k9m s LEU 47 Ca 0.50 -0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.55 1k9m s LEU 47 Cb 0.41 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 1k9m s LEU 47 CO 0.02 0.08 -0.12 -0.54 0.23 0.00 0.00 176.35 176.01 1k9m s LYS 48 N 0.93 0.87 0.07 1.70 1.02 -0.14 -3.49 119.74 120.69 1k9m s LYS 48 Ca 0.03 -1.11 -0.31 0.00 0.02 0.00 0.00 55.97 54.60 1k9m s LYS 48 Cb -0.14 -0.70 -0.06 0.00 -0.52 0.00 0.00 37.83 36.42 1k9m s LYS 48 CO 0.02 0.13 1.19 0.50 -0.92 0.00 0.00 175.35 176.27 1k9m s ARG 49 N -2.43 4.44 -0.01 1.68 3.52 -1.26 -1.33 118.95 123.56 1k9m s ARG 49 Ca 0.04 1.76 0.17 0.00 -0.13 0.00 0.00 55.73 57.56 1k9m s ARG 49 Cb -0.06 -3.35 -0.19 0.00 -1.56 0.00 0.00 34.95 29.80 1k9m s ARG 49 CO 0.01 -0.23 0.64 0.00 -0.81 0.00 0.00 175.30 174.91 1k9m n ALA 50 N 3.84 1.86 0.00 6.12 0.00 0.26 -4.92 120.51 127.68 1k9m n ALA 50 Ca 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1k9m n ALA 50 Cb 0.46 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1k9m n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k9m n GLY 51 N 1.47 -0.77 3.55 0.00 0.00 -1.14 -4.98 105.19 103.31 1k9m n GLY 51 Ca -0.14 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 1k9m n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k9m n THR 52 N 2.62 0.09 -0.97 2.61 -1.04 -1.26 -1.66 114.28 114.68 1k9m n THR 52 Ca 0.00 -0.57 0.00 0.00 -2.04 0.00 0.00 64.05 61.44 1k9m n THR 52 Cb 0.00 -2.42 0.00 0.00 -1.82 0.00 0.00 70.33 66.09 1k9m n THR 52 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k9m n GLY 53 N 6.04 0.40 3.47 3.41 0.00 -1.23 -4.97 105.19 112.31 1k9m n GLY 53 Ca 0.37 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 1k9m n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k9m s ILE 54 N -1.92 3.86 0.06 -0.61 1.01 -0.66 -1.99 121.20 120.95 1k9m s ILE 54 Ca 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.35 1k9m s ILE 54 Cb 0.00 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 1k9m s ILE 54 CO 0.00 0.47 -0.16 0.26 0.00 0.00 0.00 174.94 175.51 1k9m s TRP 55 N 0.61 1.38 0.03 3.97 0.52 -0.31 0.92 118.94 126.07 1k9m s TRP 55 Ca -0.02 -0.39 -0.05 0.00 0.02 0.00 0.00 56.10 55.66 1k9m s TRP 55 Cb -0.14 -0.80 -0.01 0.00 -1.15 0.00 0.00 33.47 31.37 1k9m s TRP 55 CO 0.02 0.07 0.08 1.41 0.02 0.00 0.00 176.95 178.56 1k9m s MET 56 N -1.42 0.54 -0.24 4.98 1.75 -0.44 0.13 119.30 124.61 1k9m s MET 56 Ca 0.02 -0.72 -0.07 0.00 -1.25 0.00 0.00 55.69 53.67 1k9m s MET 56 Cb -0.09 0.21 -0.03 0.00 2.84 0.00 0.00 34.83 37.76 1k9m s MET 56 CO 0.02 -0.13 0.06 0.00 -0.65 0.00 0.00 175.02 174.32 1k9m h GLY 58 N 8.00 0.00 0.13 0.00 0.00 -1.37 1.65 103.07 111.48 1k9m h GLY 58 Ca -0.38 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1k9m h GLY 58 CO 0.59 0.00 -0.06 0.84 0.00 0.00 0.00 176.54 177.91 1k9m h HIS 59 N 0.00 -0.16 0.00 5.60 6.17 -1.93 -3.39 115.15 121.44 1k9m h HIS 59 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1k9m h HIS 59 Cb 0.27 0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.26 1k9m h HIS 59 CO 0.00 -0.10 -1.03 0.00 0.71 0.00 0.00 177.93 177.51 1k9m n GLY 61 N 1.49 1.36 3.69 0.00 0.00 0.56 -4.99 105.19 107.29 1k9m n GLY 61 Ca 0.04 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.52 1k9m n GLY 61 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1k9m n TYR 62 N -2.00 2.15 -3.69 1.61 9.36 -1.24 -4.45 117.16 118.90 1k9m n TYR 62 Ca 0.00 0.29 -0.38 0.00 3.32 0.00 0.00 57.90 61.14 1k9m n TYR 62 Cb 0.00 -2.55 -0.12 0.00 -0.63 0.00 0.00 39.34 36.04 1k9m n TYR 62 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1k9m s LYS 63 N 3.96 3.51 0.30 2.98 2.20 -1.26 -1.07 119.74 130.35 1k9m s LYS 63 Ca 0.97 -0.59 0.10 0.00 -0.36 0.00 0.00 55.97 56.08 1k9m s LYS 63 Cb -0.90 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 31.89 1k9m s LYS 63 CO 0.59 -0.31 -0.04 0.96 -0.36 0.00 0.00 175.35 176.20 1k9m s ILE 64 N 1.62 2.96 -0.23 5.43 -4.36 0.35 -4.98 121.20 121.99 1k9m s ILE 64 Ca 0.05 -2.04 -0.09 0.00 -0.26 0.00 0.00 60.65 58.32 1k9m s ILE 64 Cb -0.16 -2.71 -0.04 0.00 1.25 0.00 0.00 42.46 40.79 1k9m s ILE 64 CO 0.06 -0.32 0.12 0.00 0.24 0.00 0.00 174.94 175.04 1k9m s ALA 65 N -2.43 3.46 0.00 2.27 0.00 -1.26 -1.16 121.76 122.64 1k9m s ALA 65 Ca 0.32 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1k9m s ALA 65 Cb -0.04 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1k9m s ALA 65 CO 0.19 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.18 1k9m n GLY 66 N 4.26 4.82 3.18 0.00 0.00 -0.84 -4.98 105.19 111.63 1k9m n GLY 66 Ca -0.16 -1.22 -0.27 0.00 0.00 0.00 0.00 46.02 44.38 1k9m n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k9m n GLY 67 N 0.00 -2.81 0.16 -0.02 0.00 0.12 -4.72 105.19 97.92 1k9m n GLY 67 Ca 0.00 -1.48 -0.20 0.00 0.00 0.00 0.00 46.02 44.34 1k9m n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9m n TYR 69 N -3.75 0.00 -3.87 0.00 4.02 -1.26 -3.49 117.16 108.81 1k9m n TYR 69 Ca -0.12 -0.16 -0.11 0.00 -0.01 0.00 0.00 57.90 57.50 1k9m n TYR 69 Cb 0.97 -0.02 -0.10 0.00 -0.02 0.00 0.00 39.34 40.17 1k9m n TYR 69 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1k9m s GLN 70 N -0.33 0.45 0.26 -0.72 -0.21 -1.26 -3.67 119.66 114.19 1k9m s GLN 70 Ca 0.00 -0.36 0.06 0.00 0.02 0.00 0.00 55.36 55.08 1k9m s GLN 70 Cb 0.00 0.19 0.34 0.00 1.00 0.00 0.00 33.01 34.54 1k9m s GLN 70 CO 0.00 -0.10 1.62 -1.00 -2.12 0.00 0.00 175.29 173.69 1k9m h PRO 71 N 4.44 0.20 -5.98 2.91 0.13 -1.93 0.34 132.00 132.11 1k9m h PRO 71 Ca -0.30 -0.12 -0.64 0.00 -0.87 0.00 0.00 66.00 64.06 1k9m h PRO 71 Cb 1.20 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 32.03 1k9m h PRO 71 CO 0.41 0.69 -0.87 -1.21 -0.23 0.00 0.00 178.00 176.79 1k9m s GLU 72 N -3.88 2.05 0.29 0.86 2.02 -1.26 -2.72 118.70 116.07 1k9m s GLU 72 Ca -0.04 -0.80 0.08 0.00 0.02 0.00 0.00 54.97 54.23 1k9m s GLU 72 Cb 0.13 -1.85 -0.04 0.00 0.10 0.00 0.00 34.13 32.46 1k9m s GLU 72 CO 0.78 0.41 0.14 0.95 0.02 0.00 0.00 175.26 177.56 1k9m s THR 73 N -0.30 3.61 0.55 3.63 -4.23 -1.26 -4.77 115.64 112.87 1k9m s THR 73 Ca 0.02 -1.63 0.23 0.00 -1.18 0.00 0.00 61.69 59.13 1k9m s THR 73 Cb -0.11 -3.08 0.31 0.00 1.34 0.00 0.00 72.50 70.96 1k9m s THR 73 CO 0.01 -0.28 2.20 0.58 -0.54 0.00 0.00 174.62 176.59 1k9m h VAL 74 N 1.58 0.77 0.08 2.29 2.07 -2.00 -2.02 116.25 119.02 1k9m h VAL 74 Ca -0.45 -0.01 -0.28 0.00 0.82 0.00 0.00 66.70 66.78 1k9m h VAL 74 Cb 1.25 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1k9m h VAL 74 CO 0.61 0.00 -1.45 0.00 0.02 0.00 0.00 177.57 176.75 1k9m h ALA 75 N 2.00 0.35 -0.31 1.67 0.00 -2.00 -3.22 119.26 117.74 1k9m h ALA 75 Ca -0.00 -1.11 -0.01 0.00 0.00 0.00 0.00 54.91 53.79 1k9m h ALA 75 Cb 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1k9m h ALA 75 CO 0.00 1.21 0.16 0.78 0.00 0.00 0.00 179.25 181.41 1k9m h GLY 76 N 2.16 0.45 1.11 0.00 0.00 -1.77 -2.60 103.07 102.42 1k9m h GLY 76 Ca -0.20 -0.19 -0.16 0.00 0.00 0.00 0.00 47.33 46.78 1k9m h GLY 76 CO 0.15 0.18 -0.42 0.50 0.00 0.00 0.00 176.54 176.94 1k9m h LYS 77 N 0.43 0.88 0.00 4.80 1.57 -1.55 -3.06 116.57 119.64 1k9m h LYS 77 Ca 0.11 -0.50 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 1k9m h LYS 77 Cb 0.03 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1k9m h LYS 77 CO -0.02 1.14 -0.05 0.00 -0.57 0.00 0.00 179.45 179.95 1k9m h ALA 78 N 0.73 1.54 0.20 3.86 0.00 -1.48 -2.78 119.26 121.33 1k9m h ALA 78 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1k9m h ALA 78 Cb 1.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1k9m h ALA 78 CO 0.10 0.06 -0.09 0.28 0.00 0.00 0.00 179.25 179.60 1k9m h VAL 79 N 0.00 0.88 -0.87 0.00 2.07 -1.42 -2.84 116.25 114.07 1k9m h VAL 79 Ca -0.00 -0.39 0.23 0.00 0.82 0.00 0.00 66.70 67.36 1k9m h VAL 79 Cb 0.12 1.11 -0.15 0.00 -1.52 0.00 0.00 31.29 30.85 1k9m h VAL 79 CO 0.01 0.09 0.09 0.24 0.02 0.00 0.00 177.57 178.02 1k9m h MET 80 N -0.46 0.10 0.00 1.57 2.07 -1.56 -3.08 114.93 113.58 1k9m h MET 80 Ca -0.03 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 1k9m h MET 80 Cb 0.35 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.06 1k9m h MET 80 CO 0.04 0.07 0.00 1.63 1.07 0.00 0.00 176.91 179.72 1k9m n LYS 81 N -5.35 0.00 0.00 1.72 5.02 -1.17 -5.17 118.16 113.20 1k9m n LYS 81 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1k9m n LYS 81 Cb 0.64 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 34.95 1k9m n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88