#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9c s ASP 23 N 0.00 6.03 0.18 4.52 -1.08 -1.26 -4.82 116.67 120.23 1n9c s ASP 23 Ca 0.00 1.29 -0.13 0.00 -0.52 0.00 0.00 52.55 53.19 1n9c s ASP 23 Cb 0.00 -2.53 0.13 0.00 -1.46 0.00 0.00 42.92 39.06 1n9c s ASP 23 CO 0.00 -1.60 1.80 0.00 0.52 0.00 0.00 175.17 175.89 1n9c h ALA 24 N 12.26 0.68 -0.27 3.66 0.00 -1.91 0.64 119.26 134.32 1n9c h ALA 24 Ca -0.33 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1n9c h ALA 24 Cb 1.16 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1n9c h ALA 24 CO 1.03 -0.03 -0.25 1.05 0.00 0.00 0.00 179.25 181.06 1n9c h GLU 25 N 0.57 0.64 -0.33 0.00 4.11 -1.91 -1.16 114.58 116.50 1n9c h GLU 25 Ca 0.22 -0.33 0.06 0.00 0.07 0.00 0.00 59.36 59.39 1n9c h GLU 25 Cb 0.08 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 1n9c h GLU 25 CO -0.13 0.93 -0.05 0.00 0.07 0.00 0.00 179.01 179.84 1n9c h ALA 26 N 0.70 0.25 -0.23 1.06 0.00 -1.85 0.31 119.26 119.50 1n9c h ALA 26 Ca 0.05 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1n9c h ALA 26 Cb 0.80 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 1n9c h ALA 26 CO 0.06 -0.44 -0.52 0.28 0.00 0.00 0.00 179.25 178.64 1n9c h VAL 27 N 0.04 0.03 -0.38 0.00 2.07 -0.73 -1.30 116.25 115.98 1n9c h VAL 27 Ca 0.16 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.54 1n9c h VAL 27 Cb 0.23 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1n9c h VAL 27 CO -0.31 0.00 -0.32 0.58 0.02 0.00 0.00 177.57 177.54 1n9c h VAL 28 N -0.50 1.28 0.00 2.57 2.07 0.21 0.51 116.25 122.39 1n9c h VAL 28 Ca 0.06 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1n9c h VAL 28 Cb 0.65 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1n9c h VAL 28 CO -0.48 0.49 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1n9c n GLN 29 N -4.07 0.05 0.00 1.57 1.13 0.91 -1.17 117.38 115.79 1n9c n GLN 29 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1n9c n GLN 29 Cb 0.50 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.36 1n9c n GLN 29 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1n9c n GLN 30 N -0.99 2.17 -0.02 -1.09 6.02 0.23 -4.83 117.38 118.87 1n9c n GLN 30 Ca 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.99 1n9c n GLN 30 Cb 0.01 -0.19 -0.06 0.00 1.02 0.00 0.00 30.24 31.02 1n9c n GLN 30 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1n9c n LYS 31 N -0.04 1.97 -0.03 -1.09 4.01 0.15 -4.81 118.16 118.32 1n9c n LYS 31 Ca 0.00 -0.03 -0.05 0.00 -0.51 0.00 0.00 58.31 57.73 1n9c n LYS 31 Cb 0.00 -1.18 -0.03 0.00 -0.51 0.00 0.00 35.03 33.31 1n9c n LYS 31 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1n9c h ILE 33 N -0.02 0.47 -0.93 0.00 3.07 -1.54 0.86 117.51 119.42 1n9c h ILE 33 Ca -0.15 -0.00 0.35 0.00 1.55 0.00 0.00 64.86 66.61 1n9c h ILE 33 Cb 1.22 0.46 -0.17 0.00 -0.27 0.00 0.00 36.82 38.06 1n9c h ILE 33 CO -0.03 0.00 0.34 -0.24 -1.05 0.00 0.00 178.15 177.17 1n9c n SER 34 N -4.22 0.18 -0.03 2.16 2.88 -1.26 -0.24 113.62 113.09 1n9c n SER 34 Ca 0.23 1.56 -0.04 0.00 -1.33 0.00 0.00 58.87 59.29 1n9c n SER 34 Cb 1.12 -0.70 -0.02 0.00 -0.75 0.00 0.00 64.21 63.87 1n9c n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n9c n HIS 36 N -2.80 0.57 0.00 0.00 8.25 0.06 0.13 115.22 121.43 1n9c n HIS 36 Ca -0.09 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1n9c n HIS 36 Cb 0.59 -0.85 0.00 0.00 1.12 0.00 0.00 29.99 30.85 1n9c n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n9c n GLY 37 N 0.24 -1.20 0.40 -1.41 0.00 0.67 -0.36 105.19 103.54 1n9c n GLY 37 Ca 0.03 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 1n9c n GLY 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1n9c h GLY 38 N 0.00 -0.96 1.23 -0.02 0.00 -1.95 0.20 103.07 101.57 1n9c h GLY 38 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 47.33 48.13 1n9c h GLY 38 CO 0.00 -0.03 0.00 1.22 0.00 0.00 0.00 176.54 177.73 1n9c n ASP 39 N -5.15 0.00 -1.40 0.19 9.92 -1.26 -4.86 116.55 113.98 1n9c n ASP 39 Ca 0.01 -0.56 -0.14 0.00 -0.53 0.00 0.00 54.79 53.57 1n9c n ASP 39 Cb 0.26 -0.11 -0.02 0.00 -0.64 0.00 0.00 41.12 40.60 1n9c n ASP 39 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1n9c n LEU 40 N -1.11 -1.41 0.00 0.64 4.77 0.71 -4.59 117.00 116.00 1n9c n LEU 40 Ca 0.18 0.11 0.14 0.00 -0.03 0.00 0.00 56.01 56.41 1n9c n LEU 40 Cb 0.14 -2.10 0.66 0.00 -2.33 0.00 0.00 43.42 39.79 1n9c n LEU 40 CO 0.18 -0.35 0.97 0.35 -1.33 0.00 0.00 177.39 177.21 1n9c n THR 41 N -3.52 0.06 -0.24 -5.08 -2.24 -1.21 -0.81 114.28 101.23 1n9c n THR 41 Ca -0.16 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1n9c n THR 41 Cb 0.57 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1n9c n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n9c n GLY 42 N 1.30 0.08 0.00 3.38 0.00 0.52 -4.01 105.19 106.45 1n9c n GLY 42 Ca 0.10 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1n9c n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9c n ALA 43 N -0.05 0.00 1.42 4.61 0.00 -0.86 -4.67 120.51 120.96 1n9c n ALA 43 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1n9c n ALA 43 Cb 0.00 0.00 0.48 0.00 0.00 0.00 0.00 19.45 19.93 1n9c n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1n9c n SER 44 N -0.49 1.44 -3.96 0.00 7.64 0.12 -4.87 113.62 113.49 1n9c n SER 44 Ca 0.00 -1.56 -0.09 0.00 1.01 0.00 0.00 58.87 58.23 1n9c n SER 44 Cb 0.00 -0.05 -0.08 0.00 -1.01 0.00 0.00 64.21 63.07 1n9c n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n9c s ALA 45 N -1.91 0.10 0.97 -0.43 0.00 -1.14 -4.92 121.76 114.45 1n9c s ALA 45 Ca 0.36 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 51.30 1n9c s ALA 45 Cb 0.19 0.57 0.17 0.00 0.00 0.00 0.00 23.12 24.06 1n9c s ALA 45 CO 0.30 -0.51 1.09 -1.25 0.00 0.00 0.00 175.76 175.39 1n9c s PRO 46 N -3.92 0.63 0.02 0.00 0.04 -1.26 -4.22 135.00 126.28 1n9c s PRO 46 Ca 0.10 1.07 -0.30 0.00 0.04 0.00 0.00 61.00 61.91 1n9c s PRO 46 Cb 0.05 -1.72 -0.07 0.00 0.04 0.00 0.00 34.50 32.81 1n9c s PRO 46 CO -0.07 -2.75 1.66 0.00 0.04 0.00 0.00 177.00 175.88 1n9c s ALA 47 N -2.71 3.64 -0.09 8.56 0.00 -1.26 -4.19 121.76 125.72 1n9c s ALA 47 Ca 0.66 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.72 1n9c s ALA 47 Cb -0.21 -3.72 0.01 0.00 0.00 0.00 0.00 23.12 19.19 1n9c s ALA 47 CO 0.59 -1.23 0.55 0.44 0.00 0.00 0.00 175.76 176.11 1n9c n ILE 48 N 5.05 0.05 -0.33 0.00 -6.64 0.01 -4.53 119.36 112.97 1n9c n ILE 48 Ca 0.16 -0.52 0.20 0.00 -1.77 0.00 0.00 62.75 60.82 1n9c n ILE 48 Cb 0.42 0.99 0.39 0.00 -1.44 0.00 0.00 39.64 39.99 1n9c n ILE 48 CO 0.00 0.00 0.00 -2.24 -1.77 0.00 0.00 176.55 172.54 1n9c h ASP 49 N 0.14 -0.11 -0.43 7.28 2.03 -1.27 -0.01 116.42 124.04 1n9c h ASP 49 Ca 0.00 0.26 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 1n9c h ASP 49 Cb 0.05 0.37 0.00 0.00 -0.83 0.00 0.00 39.33 38.92 1n9c h ASP 49 CO 0.00 -0.33 0.00 0.29 -1.03 0.00 0.00 179.24 178.17 1n9c n LYS 50 N -5.35 2.47 -0.18 4.15 5.02 -1.26 -4.39 118.16 118.61 1n9c n LYS 50 Ca 0.28 -2.28 0.21 0.00 -2.02 0.00 0.00 58.31 54.50 1n9c n LYS 50 Cb 0.91 -1.48 0.58 0.00 -0.02 0.00 0.00 35.03 35.02 1n9c n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n9c h ALA 51 N 4.07 2.38 -0.19 7.82 0.00 -1.22 0.26 119.26 132.39 1n9c h ALA 51 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1n9c h ALA 51 Cb 0.93 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1n9c h ALA 51 CO 0.00 -0.63 0.06 0.78 0.00 0.00 0.00 179.25 179.46 1n9c h GLY 52 N 0.26 0.27 0.44 0.00 0.00 -1.75 0.31 103.07 102.60 1n9c h GLY 52 Ca 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 1n9c h GLY 52 CO -0.11 0.11 -0.04 0.00 0.00 0.00 0.00 176.54 176.51 1n9c h ALA 53 N 1.82 0.02 -0.01 3.60 0.00 -0.82 -3.38 119.26 120.50 1n9c h ALA 53 Ca 0.07 -0.31 -0.21 0.00 0.00 0.00 0.00 54.91 54.45 1n9c h ALA 53 Cb 0.07 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.88 1n9c h ALA 53 CO -0.01 -0.15 -0.81 -0.91 0.00 0.00 0.00 179.25 177.38 1n9c h ASN 54 N -0.53 0.72 -0.19 0.00 2.35 -1.00 -3.47 115.58 113.46 1n9c h ASN 54 Ca -0.00 -0.75 -0.67 0.00 -0.55 0.00 0.00 56.30 54.33 1n9c h ASN 54 Cb 0.64 -0.22 -0.12 0.00 0.05 0.00 0.00 38.32 38.67 1n9c h ASN 54 CO 0.01 1.37 -0.47 -0.31 -1.65 0.00 0.00 177.43 176.38 1n9c s TYR 55 N -3.28 1.71 0.32 1.19 2.02 0.11 -5.08 117.35 114.35 1n9c s TYR 55 Ca -0.12 -0.98 0.10 0.00 -0.37 0.00 0.00 57.07 55.70 1n9c s TYR 55 Cb 0.05 -1.63 -0.06 0.00 -0.40 0.00 0.00 41.96 39.92 1n9c s TYR 55 CO 0.87 0.08 -0.13 -1.12 -1.57 0.00 0.00 175.55 173.68 1n9c s SER 56 N -3.97 3.66 0.18 2.29 0.01 -1.26 -4.38 113.70 110.23 1n9c s SER 56 Ca 0.06 -1.14 -0.19 0.00 1.31 0.00 0.00 55.95 55.98 1n9c s SER 56 Cb -0.00 -0.33 0.13 0.00 0.21 0.00 0.00 66.02 66.03 1n9c s SER 56 CO 0.04 -0.13 1.61 1.05 0.41 0.00 0.00 173.24 176.22 1n9c h GLU 57 N 2.11 -0.13 -0.70 12.44 -0.00 -1.91 0.37 114.58 126.76 1n9c h GLU 57 Ca -0.41 0.01 0.06 0.00 -0.00 0.00 0.00 59.36 59.02 1n9c h GLU 57 Cb 1.25 0.03 -0.08 0.00 -0.00 0.00 0.00 28.75 29.95 1n9c h GLU 57 CO 0.67 -0.09 -0.41 -0.85 -0.00 0.00 0.00 179.01 178.33 1n9c n GLU 58 N -5.42 -0.31 0.28 1.06 0.28 -1.26 -0.02 120.64 115.25 1n9c n GLU 58 Ca 0.04 1.14 -0.16 0.00 -0.16 0.00 0.00 57.16 58.02 1n9c n GLU 58 Cb 0.33 -1.68 -0.08 0.00 1.43 0.00 0.00 31.44 31.44 1n9c n GLU 58 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1n9c h GLU 59 N 0.00 -0.71 -0.29 3.44 4.39 -1.39 -0.42 114.58 119.60 1n9c h GLU 59 Ca 0.11 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1n9c h GLU 59 Cb 0.29 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1n9c h GLU 59 CO -0.66 -0.47 0.19 0.82 -1.16 0.00 0.00 179.01 177.74 1n9c h ILE 60 N -0.73 1.08 -0.24 3.13 2.04 -0.49 0.85 117.51 123.14 1n9c h ILE 60 Ca -0.05 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.72 1n9c h ILE 60 Cb 0.60 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 1n9c h ILE 60 CO 0.05 0.08 -0.27 0.25 0.00 0.00 0.00 178.15 178.25 1n9c h LEU 61 N 0.40 -0.88 -0.31 1.44 5.85 -0.38 0.19 115.31 121.62 1n9c h LEU 61 Ca 0.11 0.15 0.06 0.00 0.84 0.00 0.00 57.88 59.04 1n9c h LEU 61 Cb -0.04 0.40 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 1n9c h LEU 61 CO -0.02 -0.31 -0.06 -0.78 -0.34 0.00 0.00 178.44 176.93 1n9c h ASP 62 N -0.28 -0.25 -0.49 1.25 1.82 -0.12 -0.15 116.42 118.20 1n9c h ASP 62 Ca 0.13 0.09 0.02 0.00 -0.39 0.00 0.00 57.03 56.88 1n9c h ASP 62 Cb 0.49 0.18 -0.03 0.00 0.68 0.00 0.00 39.33 40.65 1n9c h ASP 62 CO -0.41 -0.09 0.30 0.40 -1.61 0.00 0.00 179.24 177.83 1n9c h ILE 63 N 0.02 1.06 -0.11 2.25 5.03 0.31 0.38 117.51 126.46 1n9c h ILE 63 Ca 0.15 -0.20 0.00 0.00 -0.12 0.00 0.00 64.86 64.69 1n9c h ILE 63 Cb 0.22 0.41 -0.01 0.00 -3.03 0.00 0.00 36.82 34.42 1n9c h ILE 63 CO -0.30 0.11 0.06 0.40 -0.68 0.00 0.00 178.15 177.73 1n9c h ILE 64 N 0.59 1.01 -0.39 -0.67 2.04 0.03 0.57 117.51 120.69 1n9c h ILE 64 Ca 0.20 -0.04 -0.11 0.00 1.00 0.00 0.00 64.86 65.91 1n9c h ILE 64 Cb 0.01 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1n9c h ILE 64 CO -0.08 0.02 -0.19 -0.07 0.00 0.00 0.00 178.15 177.83 1n9c h LEU 65 N 0.12 0.76 0.00 1.44 3.38 -0.60 0.12 115.31 120.52 1n9c h LEU 65 Ca 0.04 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 1n9c h LEU 65 Cb 0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1n9c h LEU 65 CO -0.02 0.94 -0.96 0.59 0.09 0.00 0.00 178.44 179.07 1n9c n ASN 66 N -4.13 1.88 0.00 -0.43 3.02 0.13 -2.17 115.26 113.56 1n9c n ASN 66 Ca 0.00 0.47 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 1n9c n ASN 66 Cb 0.41 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 1n9c n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n9c n GLY 67 N 1.50 0.70 3.51 7.41 0.00 0.20 -4.26 105.19 114.25 1n9c n GLY 67 Ca -0.17 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 43.67 1n9c n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1n9c s GLN 68 N -1.13 1.37 0.00 1.61 2.00 -1.18 -4.43 119.66 117.90 1n9c s GLN 68 Ca 0.00 -0.78 0.00 0.00 -2.00 0.00 0.00 55.36 52.58 1n9c s GLN 68 Cb 0.00 0.54 0.00 0.00 0.80 0.00 0.00 33.01 34.35 1n9c s GLN 68 CO 0.00 -0.58 0.00 0.41 -0.50 0.00 0.00 175.29 174.62 1n9c n GLY 69 N -0.35 0.00 1.14 2.59 0.00 -1.26 -0.01 105.19 107.30 1n9c n GLY 69 Ca -0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.97 1n9c n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n9c n GLY 70 N 0.00 1.82 3.68 -0.02 0.00 -1.26 -4.91 105.19 104.50 1n9c n GLY 70 Ca 0.00 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 1n9c n GLY 70 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1n9c s MET 71 N -1.66 4.11 0.19 1.61 0.00 0.98 -5.01 119.30 119.52 1n9c s MET 71 Ca 0.35 -0.19 -0.09 0.00 0.00 0.00 0.00 55.69 55.77 1n9c s MET 71 Cb 0.22 -3.51 0.10 0.00 0.00 0.00 0.00 34.83 31.63 1n9c s MET 71 CO 0.19 0.10 1.70 -1.00 0.00 0.00 0.00 175.02 176.00 1n9c h PRO 72 N 7.31 1.07 0.00 4.11 0.13 -1.91 -3.11 132.00 139.61 1n9c h PRO 72 Ca -0.38 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1n9c h PRO 72 Cb 1.17 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1n9c h PRO 72 CO 0.69 0.96 0.00 0.41 -0.23 0.00 0.00 178.00 179.83 1n9c n GLY 73 N -0.65 -2.10 2.47 1.56 0.00 -1.26 -4.55 105.19 100.66 1n9c n GLY 73 Ca 0.04 -1.50 -0.16 0.00 0.00 0.00 0.00 46.02 44.40 1n9c n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n9c n GLY 74 N -1.92 1.62 0.22 -0.02 0.00 0.41 -4.83 105.19 100.67 1n9c n GLY 74 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 1n9c n GLY 74 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1n9c h ILE 75 N 0.00 1.26 -3.94 -0.61 2.04 -1.86 -3.42 117.51 110.97 1n9c h ILE 75 Ca -0.34 -1.21 -0.29 0.00 1.00 0.00 0.00 64.86 64.02 1n9c h ILE 75 Cb 1.07 1.44 -0.24 0.00 -0.74 0.00 0.00 36.82 38.35 1n9c h ILE 75 CO 0.49 0.37 -0.74 0.00 0.00 0.00 0.00 178.15 178.27 1n9c s ALA 76 N -4.43 0.52 0.13 1.87 0.00 -1.26 -5.05 121.76 113.54 1n9c s ALA 76 Ca -0.05 -0.58 -0.08 0.00 0.00 0.00 0.00 51.96 51.25 1n9c s ALA 76 Cb 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 1n9c s ALA 76 CO 0.76 0.02 0.22 -1.59 0.00 0.00 0.00 175.76 175.18 1n9c s LYS 77 N -1.07 0.99 4.59 0.00 -2.85 -1.26 -4.30 119.74 115.84 1n9c s LYS 77 Ca -0.06 -1.09 0.00 0.00 -1.00 0.00 0.00 55.97 53.82 1n9c s LYS 77 Cb -0.07 0.35 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 1n9c s LYS 77 CO 0.00 -0.34 0.00 0.41 0.10 0.00 0.00 175.35 175.52 1n9c n GLY 78 N -0.13 2.60 0.38 0.59 0.00 -1.26 -2.36 105.19 105.00 1n9c n GLY 78 Ca -0.11 -0.34 0.33 0.00 0.00 0.00 0.00 46.02 45.91 1n9c n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9c h ALA 79 N -0.76 2.36 0.51 4.61 0.00 -1.99 0.26 119.26 124.25 1n9c h ALA 79 Ca 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1n9c h ALA 79 Cb 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1n9c h ALA 79 CO 0.00 -1.08 -0.46 1.49 0.00 0.00 0.00 179.25 179.20 1n9c h GLU 80 N 0.06 -0.91 -0.37 0.00 4.81 -1.82 0.12 114.58 116.48 1n9c h GLU 80 Ca 0.83 0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.99 1n9c h GLU 80 Cb 2.33 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 31.91 1n9c h GLU 80 CO -0.63 -0.61 -0.30 0.00 -0.73 0.00 0.00 179.01 176.74 1n9c h ALA 81 N -1.04 0.78 0.11 2.92 0.00 -0.68 -0.38 119.26 120.97 1n9c h ALA 81 Ca -0.07 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.45 1n9c h ALA 81 Cb 0.81 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1n9c h ALA 81 CO -0.03 0.65 -0.25 0.93 0.00 0.00 0.00 179.25 180.55 1n9c h GLU 82 N 0.67 -0.44 -0.09 0.00 5.08 -0.89 0.15 114.58 119.06 1n9c h GLU 82 Ca 0.08 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1n9c h GLU 82 Cb 0.84 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 1n9c h GLU 82 CO 0.07 -0.29 -0.17 0.00 -1.00 0.00 0.00 179.01 177.62 1n9c h ALA 83 N 0.29 -0.14 -0.12 3.43 0.00 -0.60 -0.50 119.26 121.63 1n9c h ALA 83 Ca 0.03 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1n9c h ALA 83 Cb 0.48 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1n9c h ALA 83 CO -0.15 -0.64 -0.22 0.28 0.00 0.00 0.00 179.25 178.52 1n9c h VAL 84 N -0.24 0.00 -0.44 0.00 2.07 -0.70 -0.23 116.25 116.71 1n9c h VAL 84 Ca 0.08 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.67 1n9c h VAL 84 Cb 0.36 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.07 1n9c h VAL 84 CO -0.23 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.48 1n9c h ALA 85 N -0.86 0.50 0.38 1.67 0.00 -0.37 0.35 119.26 120.93 1n9c h ALA 85 Ca 0.02 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1n9c h ALA 85 Cb 0.25 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1n9c h ALA 85 CO -0.21 -0.28 -0.33 0.00 0.00 0.00 0.00 179.25 178.42 1n9c h ALA 86 N 1.31 -0.74 -0.77 0.00 0.00 -1.00 0.90 119.26 118.96 1n9c h ALA 86 Ca 0.21 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1n9c h ALA 86 Cb 0.24 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 1n9c h ALA 86 CO -0.24 -0.95 0.43 2.35 0.00 0.00 0.00 179.25 180.83 1n9c h TRP 87 N -0.73 0.77 0.12 0.00 7.01 -0.31 0.16 115.95 122.98 1n9c h TRP 87 Ca -0.03 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 1n9c h TRP 87 Cb 0.64 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.47 1n9c h TRP 87 CO -0.17 0.32 -0.06 1.25 -2.79 0.00 0.00 178.44 176.99 1n9c h LEU 88 N 0.73 -0.14 -1.18 0.65 7.12 -0.05 0.13 115.31 122.57 1n9c h LEU 88 Ca 0.37 -0.17 0.11 0.00 0.13 0.00 0.00 57.88 58.33 1n9c h LEU 88 Cb 0.33 0.04 -0.07 0.00 -0.53 0.00 0.00 40.66 40.43 1n9c h LEU 88 CO -0.24 0.09 0.59 0.00 -0.13 0.00 0.00 178.44 178.74 1n9c h ALA 89 N 0.49 1.66 0.00 1.25 0.00 -0.49 0.22 119.26 122.40 1n9c h ALA 89 Ca -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1n9c h ALA 89 Cb 0.30 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1n9c h ALA 89 CO 0.03 0.13 -0.03 1.49 0.00 0.00 0.00 179.25 180.87 1n9c h GLU 90 N 0.86 0.00 0.00 0.00 4.81 -0.08 -3.32 114.58 116.86 1n9c h GLU 90 Ca 0.44 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.58 1n9c h GLU 90 Cb 0.50 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1n9c h GLU 90 CO -0.20 0.03 -0.40 -0.22 -0.73 0.00 0.00 179.01 177.49 1n9c h LYS 91 N 0.00 0.00 0.00 1.92 3.11 0.14 -3.50 116.57 118.24 1n9c h LYS 91 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1n9c h LYS 91 Cb 0.66 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.89 1n9c h LYS 91 CO 0.00 0.40 0.00 0.36 -2.81 0.00 0.00 179.45 177.41