#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r n THR 11 N 0.00 1.37 0.05 8.89 -1.04 -1.26 -3.65 114.28 118.64 1n8r n THR 11 Ca 0.00 0.66 0.21 0.00 -2.04 0.00 0.00 64.05 62.87 1n8r n THR 11 Cb 0.00 -1.66 0.73 0.00 -1.82 0.00 0.00 70.33 67.59 1n8r n THR 11 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1n8r h GLY 12 N 0.00 0.00 2.00 3.41 0.00 -1.93 0.74 103.07 107.28 1n8r h GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n8r h GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 175.58 1n8r n ARG 13 N -4.04 0.11 0.00 4.80 1.85 -1.24 -1.27 116.66 116.87 1n8r n ARG 13 Ca 0.08 0.50 0.14 0.00 -1.00 0.00 0.00 57.85 57.58 1n8r n ARG 13 Cb 0.60 -1.79 0.66 0.00 -1.05 0.00 0.00 32.46 30.88 1n8r n ARG 13 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1n8r n PHE 14 N -2.02 0.00 -2.51 2.89 0.99 0.25 -5.03 117.46 112.02 1n8r n PHE 14 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 1n8r n PHE 14 Cb 0.10 -0.09 0.00 0.00 -1.00 0.00 0.00 39.48 38.49 1n8r n PHE 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1n8r n GLY 15 N 1.19 1.56 1.27 1.37 0.00 -0.40 -1.89 105.19 108.30 1n8r n GLY 15 Ca 0.18 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 1n8r n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n8r n PRO 16 N 7.31 2.34 -3.43 1.61 -0.04 -1.26 -4.94 135.00 136.59 1n8r n PRO 16 Ca 0.00 -1.38 -0.20 0.00 -0.04 0.00 0.00 63.50 61.88 1n8r n PRO 16 Cb 0.00 -1.73 -0.00 0.00 -0.04 0.00 0.00 33.50 31.72 1n8r n PRO 16 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1n8r s ARG 17 N -1.68 3.15 0.00 0.54 0.52 -0.79 -4.72 118.95 115.97 1n8r s ARG 17 Ca 0.25 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.57 1n8r s ARG 17 Cb 0.20 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.89 1n8r s ARG 17 CO 0.06 0.04 0.00 0.66 0.02 0.00 0.00 175.30 176.09 1n8r n TYR 18 N -1.70 0.00 0.00 -0.53 0.53 -1.26 -4.91 117.16 109.30 1n8r n TYR 18 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.87 1n8r n TYR 18 Cb 0.58 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.89 1n8r n TYR 18 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1n8r n GLY 19 N 0.00 1.26 0.00 2.72 0.00 -1.26 -4.68 105.19 103.23 1n8r n GLY 19 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1n8r n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n8r n LEU 20 N 0.00 0.00 -0.25 0.99 4.77 -1.26 -3.26 117.00 117.99 1n8r n LEU 20 Ca 0.00 0.71 0.01 0.00 -0.03 0.00 0.00 56.01 56.69 1n8r n LEU 20 Cb 0.00 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 40.96 1n8r n LEU 20 CO 0.00 -0.21 0.71 0.11 -1.33 0.00 0.00 177.39 176.67 1n8r h LYS 21 N 0.00 -0.01 -0.05 3.23 1.57 -1.98 0.25 116.57 119.58 1n8r h LYS 21 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1n8r h LYS 21 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1n8r h LYS 21 CO 0.00 -0.01 -0.53 0.82 -0.57 0.00 0.00 179.45 179.16 1n8r h ILE 22 N -0.01 0.01 0.00 1.86 2.04 -1.84 -1.27 117.51 118.30 1n8r h ILE 22 Ca 0.34 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.15 1n8r h ILE 22 Cb 0.53 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1n8r h ILE 22 CO -0.74 0.00 -0.23 0.08 0.00 0.00 0.00 178.15 177.26 1n8r h ARG 23 N -0.63 0.00 -0.28 2.37 0.11 -1.51 -2.67 114.38 111.77 1n8r h ARG 23 Ca 0.02 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.95 1n8r h ARG 23 Cb 0.71 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.78 1n8r h ARG 23 CO -0.39 0.23 -0.44 0.28 0.10 0.00 0.00 179.97 179.75 1n8r h VAL 24 N 0.00 1.29 0.00 0.08 2.07 -0.76 -1.99 116.25 116.95 1n8r h VAL 24 Ca -0.00 -1.63 -0.07 0.00 0.82 0.00 0.00 66.70 65.81 1n8r h VAL 24 Cb 1.10 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1n8r h VAL 24 CO 0.03 0.53 -0.34 0.03 0.02 0.00 0.00 177.57 177.84 1n8r h ARG 25 N 0.58 0.00 0.04 1.57 3.08 -1.22 -2.36 114.38 116.07 1n8r h ARG 25 Ca 0.04 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.82 1n8r h ARG 25 Cb 1.00 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.07 1n8r h ARG 25 CO 0.09 0.34 -1.08 0.28 -1.07 0.00 0.00 179.97 178.53 1n8r h VAL 26 N 0.00 1.33 -0.11 2.04 2.07 -1.27 -1.35 116.25 118.95 1n8r h VAL 26 Ca -0.00 -2.42 -0.08 0.00 0.82 0.00 0.00 66.70 65.02 1n8r h VAL 26 Cb 1.16 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 33.44 1n8r h VAL 26 CO 0.04 0.73 -0.25 0.00 0.02 0.00 0.00 177.57 178.12 1n8r h ALA 27 N 0.48 0.18 0.54 1.67 0.00 -1.40 -1.94 119.26 118.79 1n8r h ALA 27 Ca -0.13 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1n8r h ALA 27 Cb 1.74 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1n8r h ALA 27 CO 0.20 0.16 -0.42 -0.44 0.00 0.00 0.00 179.25 178.75 1n8r h ASP 28 N -0.07 -1.10 -0.81 0.00 5.19 -1.50 0.53 116.42 118.66 1n8r h ASP 28 Ca 0.00 0.08 0.03 0.00 -0.62 0.00 0.00 57.03 56.52 1n8r h ASP 28 Cb 0.84 0.35 -0.05 0.00 0.18 0.00 0.00 39.33 40.65 1n8r h ASP 28 CO 0.05 -0.61 0.52 0.58 -3.12 0.00 0.00 179.24 176.67 1n8r h VAL 29 N -0.94 1.15 0.00 -1.35 2.07 -1.34 -2.08 116.25 113.76 1n8r h VAL 29 Ca -0.06 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 1n8r h VAL 29 Cb 0.79 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1n8r h VAL 29 CO 0.01 0.19 -0.44 -0.33 0.02 0.00 0.00 177.57 177.02 1n8r h GLU 30 N 1.03 0.00 -0.29 1.57 5.08 -1.25 -0.04 114.58 120.69 1n8r h GLU 30 Ca 0.32 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.49 1n8r h GLU 30 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1n8r h GLU 30 CO -0.10 0.42 -0.56 0.97 -1.00 0.00 0.00 179.01 178.73 1n8r h ILE 31 N 0.00 1.27 -0.36 3.13 2.10 0.38 0.31 117.51 124.34 1n8r h ILE 31 Ca -0.01 -1.74 -0.12 0.00 1.08 0.00 0.00 64.86 64.07 1n8r h ILE 31 Cb 1.33 1.64 -0.01 0.00 -1.09 0.00 0.00 36.82 38.69 1n8r h ILE 31 CO 0.05 0.57 -0.27 0.11 -1.08 0.00 0.00 178.15 177.54 1n8r h LYS 32 N 0.67 0.81 -0.84 2.19 1.57 -1.41 -2.67 116.57 116.89 1n8r h LYS 32 Ca 0.01 -0.39 0.07 0.00 -1.87 0.00 0.00 60.65 58.47 1n8r h LYS 32 Cb 1.17 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.42 1n8r h LYS 32 CO 0.13 1.03 0.51 1.25 -0.57 0.00 0.00 179.45 181.79 1n8r h HIS 33 N 0.60 0.93 -0.06 -1.35 2.76 -0.73 -2.77 115.15 114.53 1n8r h HIS 33 Ca 0.07 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1n8r h HIS 33 Cb 0.84 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.50 1n8r h HIS 33 CO 0.06 0.44 0.00 1.63 -1.30 0.00 0.00 177.93 178.76 1n8r n LYS 34 N -4.67 1.95 -1.90 5.26 5.02 0.11 -4.69 118.16 119.23 1n8r n LYS 34 Ca 0.13 -1.38 -0.35 0.00 -2.02 0.00 0.00 58.31 54.68 1n8r n LYS 34 Cb 0.22 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.80 1n8r n LYS 34 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1n8r s LYS 35 N -1.95 2.83 0.17 1.97 1.02 -1.01 -4.95 119.74 117.82 1n8r s LYS 35 Ca 0.34 1.74 -0.31 0.00 0.02 0.00 0.00 55.97 57.76 1n8r s LYS 35 Cb 0.20 -1.92 -0.10 0.00 -0.52 0.00 0.00 37.83 35.49 1n8r s LYS 35 CO 0.32 -1.29 1.55 0.15 -0.92 0.00 0.00 175.35 175.15 1n8r s LYS 36 N -3.53 4.22 -0.02 1.68 1.02 -1.26 -4.94 119.74 116.92 1n8r s LYS 36 Ca 0.75 2.34 0.06 0.00 0.02 0.00 0.00 55.97 59.14 1n8r s LYS 36 Cb -0.28 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 1n8r s LYS 36 CO 0.36 -0.59 -0.18 -1.01 -0.92 0.00 0.00 175.35 173.01 1n8r s HIS 37 N 1.09 2.58 -0.36 3.18 3.76 -1.23 -4.97 115.29 119.33 1n8r s HIS 37 Ca 0.69 -0.25 -0.27 0.00 -0.15 0.00 0.00 55.06 55.09 1n8r s HIS 37 Cb -0.43 -1.56 0.02 0.00 1.11 0.00 0.00 32.58 31.72 1n8r s HIS 37 CO 0.32 0.15 0.97 0.15 -0.85 0.00 0.00 174.74 175.47 1n8r s LYS 38 N -0.88 3.88 0.50 1.40 1.02 -1.26 -1.78 119.74 122.63 1n8r s LYS 38 Ca 0.12 0.68 -0.23 0.00 0.02 0.00 0.00 55.97 56.56 1n8r s LYS 38 Cb -0.10 -3.79 -0.06 0.00 -0.52 0.00 0.00 37.83 33.35 1n8r s LYS 38 CO 0.01 -0.96 1.30 0.00 -0.92 0.00 0.00 175.35 174.79 1n8r h PRO 40 N 1.78 0.58 0.00 0.00 0.11 -1.94 -3.36 132.00 129.17 1n8r h PRO 40 Ca -0.50 -0.22 0.00 0.00 0.11 0.00 0.00 66.00 65.38 1n8r h PRO 40 Cb 1.28 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1n8r h PRO 40 CO 0.59 0.78 0.00 0.28 -0.21 0.00 0.00 178.00 179.43 1n8r n VAL 41 N -4.48 0.00 -1.48 3.15 0.31 -1.26 -4.83 118.33 109.75 1n8r n VAL 41 Ca -0.03 1.01 -0.09 0.00 -0.01 0.00 0.00 64.34 65.22 1n8r n VAL 41 Cb 0.32 -1.90 0.06 0.00 -0.91 0.00 0.00 33.84 31.41 1n8r n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n8r n GLY 43 N 2.35 -0.35 3.73 0.00 0.00 -1.26 -4.45 105.19 105.21 1n8r n GLY 43 Ca 0.05 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1n8r n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n8r n PHE 44 N -1.27 2.47 -1.85 1.61 3.01 -1.26 -4.18 117.46 115.98 1n8r n PHE 44 Ca 0.03 0.48 -0.40 0.00 1.01 0.00 0.00 57.45 58.57 1n8r n PHE 44 Cb 0.23 -2.43 -0.01 0.00 -0.01 0.00 0.00 39.48 37.26 1n8r n PHE 44 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1n8r n LYS 45 N 0.15 4.19 -2.21 -1.08 5.02 -1.25 0.93 118.16 123.91 1n8r n LYS 45 Ca 0.05 -3.12 -0.14 0.00 -2.02 0.00 0.00 58.31 53.08 1n8r n LYS 45 Cb 0.39 -2.74 0.04 0.00 -0.02 0.00 0.00 35.03 32.70 1n8r n LYS 45 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1n8r n LYS 46 N 2.63 2.83 -3.68 1.97 5.02 -0.73 -4.24 118.16 121.96 1n8r n LYS 46 Ca 0.63 -3.86 -0.37 0.00 -2.02 0.00 0.00 58.31 52.69 1n8r n LYS 46 Cb 0.26 -1.98 -0.11 0.00 -0.02 0.00 0.00 35.03 33.19 1n8r n LYS 46 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1n8r s LEU 47 N -3.57 3.90 0.04 -0.35 1.43 -0.81 -1.71 118.68 117.61 1n8r s LEU 47 Ca 0.42 -0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.56 1n8r s LEU 47 Cb 0.38 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1n8r s LEU 47 CO 0.00 -0.00 -0.16 -0.54 0.23 0.00 0.00 176.35 175.88 1n8r s LYS 48 N 1.45 1.08 0.22 1.70 1.02 -0.63 -3.51 119.74 121.07 1n8r s LYS 48 Ca 0.07 -0.84 -0.31 0.00 0.02 0.00 0.00 55.97 54.91 1n8r s LYS 48 Cb -0.15 -1.14 -0.10 0.00 -0.52 0.00 0.00 37.83 35.92 1n8r s LYS 48 CO 0.07 0.28 1.54 0.50 -0.92 0.00 0.00 175.35 176.83 1n8r s ARG 49 N -1.20 4.21 0.02 1.68 3.52 -1.26 -1.86 118.95 124.05 1n8r s ARG 49 Ca 0.04 2.40 0.21 0.00 -0.13 0.00 0.00 55.73 58.25 1n8r s ARG 49 Cb -0.08 -3.11 -0.23 0.00 -1.56 0.00 0.00 34.95 29.97 1n8r s ARG 49 CO 0.02 -0.56 0.61 0.00 -0.81 0.00 0.00 175.30 174.56 1n8r n ALA 50 N 3.11 2.53 0.00 6.12 0.00 0.25 -4.91 120.51 127.61 1n8r n ALA 50 Ca 0.11 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1n8r n ALA 50 Cb 0.39 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1n8r n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8r n GLY 51 N 1.30 -0.53 3.59 0.00 0.00 -1.15 -4.98 105.19 103.41 1n8r n GLY 51 Ca -0.06 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1n8r n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n8r s THR 52 N -3.02 3.01 0.00 2.61 2.01 -1.26 -2.09 115.64 116.90 1n8r s THR 52 Ca 0.00 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1n8r s THR 52 Cb 0.00 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.49 1n8r s THR 52 CO 0.00 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.53 1n8r n GLY 53 N 5.84 0.32 3.50 4.40 0.00 -1.23 -4.99 105.19 113.04 1n8r n GLY 53 Ca 0.32 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.00 1n8r n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8r s ILE 54 N -1.79 3.93 0.05 -0.61 1.01 -0.89 -1.89 121.20 121.01 1n8r s ILE 54 Ca 0.00 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.34 1n8r s ILE 54 Cb 0.00 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 1n8r s ILE 54 CO 0.00 0.49 -0.12 0.26 0.00 0.00 0.00 174.94 175.58 1n8r s TRP 55 N 0.35 1.00 0.05 3.97 0.52 0.31 0.84 118.94 125.99 1n8r s TRP 55 Ca -0.04 -0.40 -0.05 0.00 0.02 0.00 0.00 56.10 55.64 1n8r s TRP 55 Cb -0.14 -0.59 -0.02 0.00 -1.15 0.00 0.00 33.47 31.57 1n8r s TRP 55 CO 0.03 0.01 0.07 1.41 0.02 0.00 0.00 176.95 178.49 1n8r s MET 56 N -1.34 0.64 -0.24 4.98 1.75 -0.78 0.21 119.30 124.53 1n8r s MET 56 Ca -0.03 -0.94 -0.04 0.00 -1.25 0.00 0.00 55.69 53.44 1n8r s MET 56 Cb -0.09 0.25 -0.00 0.00 2.84 0.00 0.00 34.83 37.83 1n8r s MET 56 CO 0.01 -0.16 -0.02 0.00 -0.65 0.00 0.00 175.02 174.20 1n8r h GLY 58 N 8.13 0.00 0.16 0.00 0.00 -1.66 3.75 103.07 113.44 1n8r h GLY 58 Ca -0.39 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1n8r h GLY 58 CO 0.60 0.00 -0.07 0.84 0.00 0.00 0.00 176.54 177.90 1n8r h HIS 59 N 0.00 -0.19 -0.02 5.60 6.17 -1.92 -3.37 115.15 121.42 1n8r h HIS 59 Ca -0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1n8r h HIS 59 Cb 0.00 0.06 0.00 0.00 2.52 0.00 0.00 27.41 29.99 1n8r h HIS 59 CO 0.00 -0.12 -0.33 0.00 0.71 0.00 0.00 177.93 178.19 1n8r n GLY 61 N 1.31 0.91 3.64 0.00 0.00 1.24 -4.98 105.19 107.32 1n8r n GLY 61 Ca 0.10 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.63 1n8r n GLY 61 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1n8r n TYR 62 N -2.13 1.99 -3.90 1.61 9.36 -1.23 -4.36 117.16 118.51 1n8r n TYR 62 Ca 0.00 0.40 -0.35 0.00 3.32 0.00 0.00 57.90 61.27 1n8r n TYR 62 Cb 0.00 -2.47 -0.14 0.00 -0.63 0.00 0.00 39.34 36.11 1n8r n TYR 62 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1n8r s LYS 63 N 0.90 2.90 0.18 2.98 2.20 -1.26 0.53 119.74 128.17 1n8r s LYS 63 Ca 0.82 -0.95 0.09 0.00 -0.36 0.00 0.00 55.97 55.57 1n8r s LYS 63 Cb -0.79 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 32.38 1n8r s LYS 63 CO 0.42 -0.42 -0.10 0.96 -0.36 0.00 0.00 175.35 175.85 1n8r s ILE 64 N 1.38 3.16 -0.30 5.43 -4.36 0.56 -4.96 121.20 122.11 1n8r s ILE 64 Ca 0.01 -1.66 -0.19 0.00 -0.26 0.00 0.00 60.65 58.55 1n8r s ILE 64 Cb -0.17 -2.56 -0.01 0.00 1.25 0.00 0.00 42.46 40.97 1n8r s ILE 64 CO -0.02 -0.10 0.57 0.00 0.24 0.00 0.00 174.94 175.62 1n8r s ALA 65 N -1.68 3.53 0.00 2.27 0.00 -1.26 -0.53 121.76 124.09 1n8r s ALA 65 Ca 0.25 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1n8r s ALA 65 Cb -0.09 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1n8r s ALA 65 CO 0.15 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.31 1n8r n GLY 66 N 4.51 4.68 0.72 0.00 0.00 -0.79 -4.99 105.19 109.32 1n8r n GLY 66 Ca -0.03 -1.58 -0.07 0.00 0.00 0.00 0.00 46.02 44.35 1n8r n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n8r n GLY 67 N 0.32 -3.48 0.09 -0.02 0.00 0.21 -4.66 105.19 97.65 1n8r n GLY 67 Ca 0.00 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 1n8r n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8r n TYR 69 N -3.30 0.00 -3.78 0.00 4.02 -1.26 -3.65 117.16 109.18 1n8r n TYR 69 Ca -0.14 -0.26 -0.13 0.00 -0.01 0.00 0.00 57.90 57.35 1n8r n TYR 69 Cb 1.03 -0.03 -0.10 0.00 -0.02 0.00 0.00 39.34 40.22 1n8r n TYR 69 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1n8r s GLN 70 N -0.53 0.47 0.34 -0.72 -0.21 -1.26 -3.53 119.66 114.21 1n8r s GLN 70 Ca 0.00 0.10 0.12 0.00 0.02 0.00 0.00 55.36 55.60 1n8r s GLN 70 Cb 0.00 0.21 0.60 0.00 1.00 0.00 0.00 33.01 34.83 1n8r s GLN 70 CO 0.00 -0.10 1.76 -1.00 -2.12 0.00 0.00 175.29 173.83 1n8r h PRO 71 N 4.91 0.01 -5.77 2.91 0.13 -1.92 0.59 132.00 132.86 1n8r h PRO 71 Ca -0.28 -0.01 -0.62 0.00 -0.87 0.00 0.00 66.00 64.23 1n8r h PRO 71 Cb 1.19 -0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.01 1n8r h PRO 71 CO 0.36 0.45 -0.86 -1.21 -0.23 0.00 0.00 178.00 176.51 1n8r s GLU 72 N -4.03 1.97 0.03 0.86 2.02 -1.26 -2.95 118.70 115.34 1n8r s GLU 72 Ca -0.02 -0.74 0.05 0.00 0.02 0.00 0.00 54.97 54.28 1n8r s GLU 72 Cb 0.14 -1.75 -0.03 0.00 0.10 0.00 0.00 34.13 32.58 1n8r s GLU 72 CO 0.74 0.36 -0.13 0.95 0.02 0.00 0.00 175.26 177.20 1n8r s THR 73 N -0.21 3.20 0.41 3.63 -4.23 -1.26 -4.75 115.64 112.43 1n8r s THR 73 Ca 0.01 -1.01 0.27 0.00 -1.18 0.00 0.00 61.69 59.77 1n8r s THR 73 Cb -0.11 -2.38 0.44 0.00 1.34 0.00 0.00 72.50 71.79 1n8r s THR 73 CO 0.02 0.35 1.60 0.58 -0.54 0.00 0.00 174.62 176.62 1n8r h VAL 74 N 3.81 0.06 0.02 2.29 2.07 -2.00 0.86 116.25 123.36 1n8r h VAL 74 Ca -0.48 -0.02 -0.22 0.00 0.82 0.00 0.00 66.70 66.80 1n8r h VAL 74 Cb 1.16 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1n8r h VAL 74 CO 0.51 0.01 -0.96 0.00 0.02 0.00 0.00 177.57 177.15 1n8r h ALA 75 N 1.74 0.39 0.00 1.67 0.00 -2.00 -3.13 119.26 117.94 1n8r h ALA 75 Ca 0.85 -0.75 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1n8r h ALA 75 Cb 2.50 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 20.24 1n8r h ALA 75 CO -0.56 0.90 -0.17 0.78 0.00 0.00 0.00 179.25 180.20 1n8r h GLY 76 N 1.63 0.00 1.38 0.00 0.00 0.35 -2.68 103.07 103.74 1n8r h GLY 76 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.02 1n8r h GLY 76 CO 0.15 0.00 -0.94 0.50 0.00 0.00 0.00 176.54 176.26 1n8r h LYS 77 N 0.00 0.57 0.00 4.80 1.57 -1.46 -3.16 116.57 118.88 1n8r h LYS 77 Ca -0.00 -0.58 -0.01 0.00 -1.87 0.00 0.00 60.65 58.19 1n8r h LYS 77 Cb 0.32 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1n8r h LYS 77 CO 0.02 1.20 -0.07 0.00 -0.57 0.00 0.00 179.45 180.03 1n8r h ALA 78 N 0.61 1.58 0.07 3.86 0.00 -1.42 -2.89 119.26 121.06 1n8r h ALA 78 Ca -0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1n8r h ALA 78 Cb 1.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1n8r h ALA 78 CO 0.17 0.08 -0.03 0.28 0.00 0.00 0.00 179.25 179.75 1n8r h VAL 79 N 0.00 1.05 -0.64 0.00 2.07 -1.50 -2.85 116.25 114.38 1n8r h VAL 79 Ca -0.00 -0.42 0.13 0.00 0.82 0.00 0.00 66.70 67.23 1n8r h VAL 79 Cb 0.15 1.33 -0.12 0.00 -1.52 0.00 0.00 31.29 31.12 1n8r h VAL 79 CO 0.01 0.10 -0.19 0.24 0.02 0.00 0.00 177.57 177.75 1n8r h MET 80 N -0.28 -0.03 0.00 1.57 2.07 -1.60 -3.13 114.93 113.54 1n8r h MET 80 Ca -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1n8r h MET 80 Cb 0.24 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 29.98 1n8r h MET 80 CO 0.02 -0.02 0.00 1.63 1.07 0.00 0.00 176.91 179.61 1n8r n LYS 81 N -5.45 0.00 0.00 1.72 5.02 -1.20 -5.17 118.16 113.08 1n8r n LYS 81 Ca 0.07 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1n8r n LYS 81 Cb 0.34 -0.81 0.00 0.00 -0.02 0.00 0.00 35.03 34.54 1n8r n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88