#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 5.95 0.18 4.52 1.11 -1.26 -4.88 116.67 122.29 1n9c s ASP 23 Ca 0.00 0.34 -0.17 0.00 0.18 0.00 0.00 52.55 52.91 1n9c s ASP 23 Cb 0.00 -2.54 0.14 0.00 1.07 0.00 0.00 42.92 41.59 1n9c s ASP 23 CO 0.00 -1.84 1.64 0.00 1.18 0.00 0.00 175.17 176.15 1n9c h ALA 24 N 11.87 0.23 -0.85 5.23 0.00 -1.92 0.23 119.26 134.05 1n9c h ALA 24 Ca -0.27 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1n9c h ALA 24 Cb 1.11 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 1n9c h ALA 24 CO 1.18 -0.50 0.54 1.05 0.00 0.00 0.00 179.25 181.52 1n9c h GLU 25 N -0.06 1.13 -0.61 0.00 4.11 -1.92 -1.83 114.58 115.41 1n9c h GLU 25 Ca 0.23 -0.08 0.01 0.00 0.07 0.00 0.00 59.36 59.58 1n9c h GLU 25 Cb 0.41 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1n9c h GLU 25 CO -0.52 0.77 0.40 0.00 0.07 0.00 0.00 179.01 179.72 1n9c h ALA 26 N 1.30 0.77 -0.12 1.06 0.00 -1.00 0.37 119.26 121.63 1n9c h ALA 26 Ca 0.31 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1n9c h ALA 26 Cb -0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 1n9c h ALA 26 CO -0.06 0.20 -0.33 0.28 0.00 0.00 0.00 179.25 179.33 1n9c h VAL 27 N 0.82 0.00 -0.67 0.00 2.07 -1.03 -2.57 116.25 114.86 1n9c h VAL 27 Ca 0.22 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.69 1n9c h VAL 27 Cb -0.09 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.65 1n9c h VAL 27 CO -0.05 0.00 0.23 0.58 0.02 0.00 0.00 177.57 178.35 1n9c h VAL 28 N -0.33 1.25 0.00 2.57 2.07 -0.16 0.56 116.25 122.21 1n9c h VAL 28 Ca 0.02 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1n9c h VAL 28 Cb 0.40 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1n9c h VAL 28 CO -0.29 0.33 0.00 0.00 0.02 0.00 0.00 177.57 177.63 1n9c n GLN 29 N -4.35 0.02 0.00 1.57 1.13 0.11 -0.72 117.38 115.14 1n9c n GLN 29 Ca 0.05 0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 1n9c n GLN 29 Cb 0.21 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.06 1n9c n GLN 29 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1n9c n GLN 30 N -1.10 2.21 -0.00 -1.09 7.27 0.48 -4.87 117.38 120.28 1n9c n GLN 30 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.08 1n9c n GLN 30 Cb 0.00 -0.21 -0.00 0.00 2.41 0.00 0.00 30.24 32.44 1n9c n GLN 30 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1n9c n LYS 31 N -0.27 1.53 0.00 3.69 5.02 0.17 -4.83 118.16 123.47 1n9c n LYS 31 Ca 0.00 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1n9c n LYS 31 Cb 0.00 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1n9c n LYS 31 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n9c h ILE 33 N 0.00 0.52 -0.80 0.00 3.07 -1.45 0.47 117.51 119.33 1n9c h ILE 33 Ca 0.00 -0.00 0.32 0.00 1.55 0.00 0.00 64.86 66.72 1n9c h ILE 33 Cb 0.88 0.52 -0.14 0.00 -0.27 0.00 0.00 36.82 37.80 1n9c h ILE 33 CO 0.00 0.00 0.36 -1.20 -1.05 0.00 0.00 178.15 176.26 1n9c n SER 34 N -4.25 0.22 -0.01 2.16 7.64 -1.26 -0.17 113.62 117.95 1n9c n SER 34 Ca 0.20 1.33 -0.01 0.00 1.01 0.00 0.00 58.87 61.39 1n9c n SER 34 Cb 1.03 -0.62 -0.01 0.00 -1.01 0.00 0.00 64.21 63.60 1n9c n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n9c n HIS 36 N -2.58 0.00 0.00 0.00 8.25 -0.08 -0.09 115.22 120.72 1n9c n HIS 36 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1n9c n HIS 36 Cb 0.54 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 1.17 -2.57 0.27 -1.41 0.00 0.77 0.02 105.19 103.44 1n9c n GLY 37 Ca 0.08 -1.43 -0.07 0.00 0.00 0.00 0.00 46.02 44.61 1n9c n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n9c n GLY 38 N -1.83 -2.22 0.74 -0.02 0.00 -1.26 -0.43 105.19 100.17 1n9c n GLY 38 Ca 0.00 0.87 0.11 0.00 0.00 0.00 0.00 46.02 47.00 1n9c n GLY 38 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1n9c n ASP 39 N -4.55 2.23 -0.30 1.61 -0.08 -1.26 -4.89 116.55 109.30 1n9c n ASP 39 Ca 0.01 -1.81 -0.03 0.00 -1.51 0.00 0.00 54.79 51.46 1n9c n ASP 39 Cb 0.17 -0.15 -0.00 0.00 2.34 0.00 0.00 41.12 43.48 1n9c n ASP 39 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1n9c n LEU 40 N 0.69 -0.97 0.02 -2.67 7.99 0.43 -4.45 117.00 118.05 1n9c n LEU 40 Ca 0.17 0.01 0.10 0.00 -0.01 0.00 0.00 56.01 56.28 1n9c n LEU 40 Cb 0.42 -0.82 0.44 0.00 -0.11 0.00 0.00 43.42 43.35 1n9c n LEU 40 CO 0.14 -0.05 0.83 0.35 -1.51 0.00 0.00 177.39 177.15 1n9c n THR 41 N -3.82 0.60 -0.49 -5.08 -2.24 -1.17 -0.51 114.28 101.57 1n9c n THR 41 Ca -0.03 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1n9c n THR 41 Cb 0.45 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 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 0.62 -0.81 0.06 3.38 0.00 0.10 -3.91 105.19 104.63 1n9c n GLY 42 Ca 0.05 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.70 0.41 1.03 4.61 0.00 -1.15 -4.71 120.51 121.40 1n9c n ALA 43 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1n9c n ALA 43 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.76 2.40 -4.00 0.00 7.64 0.87 -4.91 113.62 113.85 1n9c n SER 44 Ca 0.00 -1.80 -0.08 0.00 1.01 0.00 0.00 58.87 58.00 1n9c n SER 44 Cb 0.00 -0.08 -0.09 0.00 -1.01 0.00 0.00 64.21 63.03 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 -1.83 0.25 0.97 -0.43 0.00 -1.07 -4.93 121.76 114.72 1n9c s ALA 45 Ca 0.34 -1.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.18 1n9c s ALA 45 Cb 0.20 0.46 0.17 0.00 0.00 0.00 0.00 23.12 23.95 1n9c s ALA 45 CO 0.30 -0.45 1.09 -1.25 0.00 0.00 0.00 175.76 175.45 1n9c s PRO 46 N -3.92 0.67 -0.12 0.00 0.04 -1.26 -4.24 135.00 126.18 1n9c s PRO 46 Ca 0.09 0.98 -0.29 0.00 0.04 0.00 0.00 61.00 61.81 1n9c s PRO 46 Cb 0.06 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.82 1n9c s PRO 46 CO -0.08 -2.69 1.90 0.00 0.04 0.00 0.00 177.00 176.18 1n9c s ALA 47 N -2.76 3.25 -1.04 8.56 0.00 -1.25 -4.09 121.76 124.42 1n9c s ALA 47 Ca 0.65 0.88 0.09 0.00 0.00 0.00 0.00 51.96 53.58 1n9c s ALA 47 Cb -0.21 -3.90 0.06 0.00 0.00 0.00 0.00 23.12 19.07 1n9c s ALA 47 CO 0.59 -2.02 0.74 0.44 0.00 0.00 0.00 175.76 175.51 1n9c n ILE 48 N 6.42 0.00 -0.30 0.00 -6.64 0.33 -4.59 119.36 114.58 1n9c n ILE 48 Ca 0.22 -0.48 0.12 0.00 -1.77 0.00 0.00 62.75 60.83 1n9c n ILE 48 Cb 0.44 1.17 0.26 0.00 -1.44 0.00 0.00 39.64 40.06 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 1.58 -0.20 -0.16 7.28 2.03 -1.03 0.13 116.42 126.04 1n9c h ASP 49 Ca 0.00 0.22 0.00 0.00 -0.73 0.00 0.00 57.03 56.52 1n9c h ASP 49 Cb 0.35 0.34 0.00 0.00 -0.83 0.00 0.00 39.33 39.19 1n9c h ASP 49 CO 0.00 -0.21 0.00 0.29 -1.03 0.00 0.00 179.24 178.29 1n9c n LYS 50 N -5.32 1.79 0.04 4.15 4.76 -1.26 -4.12 118.16 118.20 1n9c n LYS 50 Ca 0.20 -1.18 0.13 0.00 -2.87 0.00 0.00 58.31 54.58 1n9c n LYS 50 Cb 0.65 -1.41 0.59 0.00 -1.84 0.00 0.00 35.03 33.02 1n9c n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n9c h ALA 51 N 4.13 2.13 -0.02 7.82 0.00 -1.00 0.42 119.26 132.74 1n9c h ALA 51 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1n9c h ALA 51 Cb 0.53 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1n9c h ALA 51 CO 0.00 -0.23 -0.13 0.78 0.00 0.00 0.00 179.25 179.68 1n9c h GLY 52 N 0.19 0.03 0.87 0.00 0.00 -1.71 0.39 103.07 102.84 1n9c h GLY 52 Ca 0.18 -0.02 -0.16 0.00 0.00 0.00 0.00 47.33 47.33 1n9c h GLY 52 CO -0.03 0.01 -0.61 0.00 0.00 0.00 0.00 176.54 175.91 1n9c h ALA 53 N 1.85 0.13 -0.09 3.60 0.00 -0.56 -3.38 119.26 120.81 1n9c h ALA 53 Ca 0.01 -0.56 -0.23 0.00 0.00 0.00 0.00 54.91 54.13 1n9c h ALA 53 Cb 0.24 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1n9c h ALA 53 CO 0.02 0.41 -0.84 -0.91 0.00 0.00 0.00 179.25 177.92 1n9c h ASN 54 N 0.05 0.81 -4.61 0.00 2.35 -0.52 -3.47 115.58 110.19 1n9c h ASN 54 Ca -0.06 -0.57 -0.45 0.00 -0.55 0.00 0.00 56.30 54.67 1n9c h ASN 54 Cb 1.29 -0.24 -0.14 0.00 0.05 0.00 0.00 38.32 39.28 1n9c h ASN 54 CO 0.12 1.36 -0.54 -0.31 -1.65 0.00 0.00 177.43 176.41 1n9c s TYR 55 N -3.59 1.66 0.38 1.19 2.02 0.13 -5.07 117.35 114.07 1n9c s TYR 55 Ca -0.09 -1.39 0.08 0.00 -0.37 0.00 0.00 57.07 55.30 1n9c s TYR 55 Cb 0.09 -0.89 -0.04 0.00 -0.40 0.00 0.00 41.96 40.71 1n9c s TYR 55 CO 0.89 -0.53 0.18 -1.12 -1.57 0.00 0.00 175.55 173.41 1n9c s SER 56 N -3.41 4.59 0.29 2.29 0.01 -1.26 -4.14 113.70 112.07 1n9c s SER 56 Ca 0.34 -0.91 0.04 0.00 1.31 0.00 0.00 55.95 56.73 1n9c s SER 56 Cb 0.04 -0.59 0.69 0.00 0.21 0.00 0.00 66.02 66.37 1n9c s SER 56 CO 0.18 -0.44 1.75 1.05 0.41 0.00 0.00 173.24 176.19 1n9c h GLU 57 N 1.44 0.61 -0.00 12.44 9.09 -1.92 -1.62 114.58 134.62 1n9c h GLU 57 Ca -0.43 -0.04 0.02 0.00 0.05 0.00 0.00 59.36 58.96 1n9c h GLU 57 Cb 1.25 -0.14 -0.03 0.00 -1.65 0.00 0.00 28.75 28.19 1n9c h GLU 57 CO 0.65 0.41 -0.12 1.05 0.05 0.00 0.00 179.01 181.05 1n9c h GLU 58 N 0.63 -0.19 -0.08 1.06 9.09 -1.96 0.22 114.58 123.35 1n9c h GLU 58 Ca 0.55 0.01 0.03 0.00 0.05 0.00 0.00 59.36 60.00 1n9c h GLU 58 Cb 0.89 0.04 -0.03 0.00 -1.65 0.00 0.00 28.75 28.01 1n9c h GLU 58 CO -0.42 -0.13 -0.10 0.93 0.05 0.00 0.00 179.01 179.35 1n9c h GLU 59 N -0.20 -0.13 -0.01 1.06 4.39 -1.75 -0.70 114.58 117.24 1n9c h GLU 59 Ca 0.04 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 1n9c h GLU 59 Cb 0.25 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1n9c h GLU 59 CO -0.12 -0.09 0.00 0.82 -1.16 0.00 0.00 179.01 178.47 1n9c h ILE 60 N -0.14 1.14 -0.28 3.13 2.04 -1.06 0.03 117.51 122.38 1n9c h ILE 60 Ca 0.07 -0.41 0.06 0.00 1.00 0.00 0.00 64.86 65.57 1n9c h ILE 60 Cb 0.23 1.41 -0.08 0.00 -0.74 0.00 0.00 36.82 37.64 1n9c h ILE 60 CO -0.16 0.11 -0.40 0.25 0.00 0.00 0.00 178.15 177.95 1n9c h LEU 61 N -0.16 -1.28 -0.51 1.44 5.85 -0.45 0.13 115.31 120.33 1n9c h LEU 61 Ca 0.00 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1n9c h LEU 61 Cb 0.18 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1n9c h LEU 61 CO -0.00 -0.38 0.33 -0.78 -0.34 0.00 0.00 178.44 177.27 1n9c h ASP 62 N -0.38 0.60 -0.81 1.25 3.58 -0.87 -0.78 116.42 119.00 1n9c h ASP 62 Ca 0.12 -0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.54 1n9c h ASP 62 Cb 0.59 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.45 1n9c h ASP 62 CO -0.48 0.46 0.54 0.40 -2.88 0.00 0.00 179.24 177.28 1n9c h ILE 63 N 0.69 1.20 0.00 2.25 2.04 -0.22 0.34 117.51 123.82 1n9c h ILE 63 Ca 0.19 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1n9c h ILE 63 Cb -0.05 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.04 1n9c h ILE 63 CO -0.04 0.20 -0.00 0.40 0.00 0.00 0.00 178.15 178.71 1n9c h ILE 64 N 1.10 1.00 -0.06 -0.67 2.04 -0.25 0.45 117.51 121.12 1n9c h ILE 64 Ca 0.30 -0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.10 1n9c h ILE 64 Cb -0.12 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1n9c h ILE 64 CO -0.07 0.00 -0.21 -0.07 0.00 0.00 0.00 178.15 177.81 1n9c h LEU 65 N -0.01 0.10 0.00 1.44 3.38 -0.19 0.17 115.31 120.20 1n9c h LEU 65 Ca -0.00 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1n9c h LEU 65 Cb 0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1n9c h LEU 65 CO 0.00 0.31 -1.12 0.59 0.09 0.00 0.00 178.44 178.31 1n9c n ASN 66 N -4.25 1.65 0.00 -0.43 3.02 0.11 -2.53 115.26 112.84 1n9c n ASN 66 Ca -0.02 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1n9c n ASN 66 Cb 0.29 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 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 1.91 0.88 3.58 7.41 0.00 0.16 -4.29 105.19 114.84 1n9c n GLY 67 Ca -0.19 -2.01 -0.02 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.36 0.47 1.97 1.61 2.00 -1.23 -4.56 119.66 118.55 1n9c s GLN 68 Ca 0.00 0.98 0.00 0.00 -2.00 0.00 0.00 55.36 54.34 1n9c s GLN 68 Cb 0.00 0.37 0.00 0.00 0.80 0.00 0.00 33.01 34.18 1n9c s GLN 68 CO 0.00 -0.13 0.00 0.41 -0.50 0.00 0.00 175.29 175.07 1n9c n GLY 69 N 4.57 2.08 0.02 2.59 0.00 -1.26 -0.08 105.19 113.12 1n9c n GLY 69 Ca -0.15 0.45 0.13 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.49 3.70 -0.02 0.00 -1.26 -4.86 105.19 101.25 1n9c n GLY 70 Ca 0.00 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.03 4.23 0.23 1.61 0.00 0.89 -4.92 119.30 118.31 1n9c s MET 71 Ca 0.12 2.23 -0.06 0.00 0.00 0.00 0.00 55.69 57.99 1n9c s MET 71 Cb 0.17 -3.45 0.23 0.00 0.00 0.00 0.00 34.83 31.78 1n9c s MET 71 CO 0.58 -0.64 1.80 -1.00 0.00 0.00 0.00 175.02 175.77 1n9c h PRO 72 N 7.69 1.10 0.00 4.11 0.13 -1.89 -3.26 132.00 139.89 1n9c h PRO 72 Ca -0.42 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1n9c h PRO 72 Cb 1.20 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1n9c h PRO 72 CO 0.91 0.91 0.00 0.41 -0.23 0.00 0.00 178.00 180.00 1n9c n GLY 73 N -0.89 -2.33 2.47 1.56 0.00 -1.26 -4.62 105.19 100.12 1n9c n GLY 73 Ca 0.06 -1.47 -0.17 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.15 1.36 0.28 -0.02 0.00 0.59 -4.85 105.19 100.39 1n9c n GLY 74 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 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 1.21 -3.96 -0.61 2.04 -1.87 -3.42 117.51 110.90 1n9c h ILE 75 Ca -0.36 -0.83 -0.33 0.00 1.00 0.00 0.00 64.86 64.35 1n9c h ILE 75 Cb 1.14 0.89 -0.24 0.00 -0.74 0.00 0.00 36.82 37.87 1n9c h ILE 75 CO 0.50 0.29 -0.75 0.00 0.00 0.00 0.00 178.15 178.19 1n9c s ALA 76 N -5.01 0.69 0.04 1.87 0.00 -1.26 -5.09 121.76 112.99 1n9c s ALA 76 Ca -0.08 -0.66 -0.00 0.00 0.00 0.00 0.00 51.96 51.21 1n9c s ALA 76 Cb 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 1n9c s ALA 76 CO 0.78 0.07 -0.03 0.15 0.00 0.00 0.00 175.76 176.73 1n9c s LYS 77 N -1.15 0.47 5.17 0.00 1.02 -1.26 -4.35 119.74 119.63 1n9c s LYS 77 Ca -0.04 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.02 1n9c s LYS 77 Cb -0.08 0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.39 1n9c s LYS 77 CO 0.01 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 1n9c n GLY 78 N 0.84 2.78 0.42 -3.33 0.00 -1.26 -2.56 105.19 102.08 1n9c n GLY 78 Ca -0.19 -0.33 0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.84 2.45 0.42 4.61 0.00 -1.99 0.27 119.26 124.19 1n9c h ALA 79 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1n9c h ALA 79 Cb 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1n9c h ALA 79 CO 0.00 -1.06 -0.42 1.49 0.00 0.00 0.00 179.25 179.25 1n9c h GLU 80 N 0.17 -0.81 -0.60 0.00 4.81 -1.86 0.17 114.58 116.46 1n9c h GLU 80 Ca 0.77 0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.96 1n9c h GLU 80 Cb 2.21 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 31.75 1n9c h GLU 80 CO -0.47 -0.54 -0.01 0.00 -0.73 0.00 0.00 179.01 177.26 1n9c h ALA 81 N -1.06 0.85 -0.01 2.92 0.00 -0.63 -0.65 119.26 120.68 1n9c h ALA 81 Ca -0.05 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.56 1n9c h ALA 81 Cb 0.73 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1n9c h ALA 81 CO -0.05 0.67 -0.07 0.93 0.00 0.00 0.00 179.25 180.73 1n9c h GLU 82 N 0.96 -0.11 -0.07 0.00 5.08 -1.00 0.12 114.58 119.57 1n9c h GLU 82 Ca 0.17 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1n9c h GLU 82 Cb 0.56 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1n9c h GLU 82 CO 0.03 -0.07 -0.14 0.00 -1.00 0.00 0.00 179.01 177.83 1n9c h ALA 83 N 0.89 -0.11 -0.18 3.43 0.00 -0.45 -1.39 119.26 121.44 1n9c h ALA 83 Ca 0.03 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1n9c h ALA 83 Cb 0.15 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1n9c h ALA 83 CO -0.08 -0.62 -0.46 0.28 0.00 0.00 0.00 179.25 178.38 1n9c h VAL 84 N -0.21 0.10 -0.09 0.00 2.07 -0.79 -0.42 116.25 116.91 1n9c h VAL 84 Ca 0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.63 1n9c h VAL 84 Cb 0.31 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 1n9c h VAL 84 CO -0.19 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.07 1n9c h ALA 85 N 0.05 -0.43 0.16 1.67 0.00 -0.25 0.26 119.26 120.72 1n9c h ALA 85 Ca 0.07 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1n9c h ALA 85 Cb 0.64 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1n9c h ALA 85 CO -0.44 -0.82 -0.19 0.00 0.00 0.00 0.00 179.25 177.79 1n9c h ALA 86 N 0.33 -0.37 -0.77 0.00 0.00 -1.13 0.12 119.26 117.44 1n9c h ALA 86 Ca 0.08 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.10 1n9c h ALA 86 Cb 0.56 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.54 1n9c h ALA 86 CO -0.34 -0.74 0.31 2.35 0.00 0.00 0.00 179.25 180.84 1n9c h TRP 87 N -0.40 0.53 0.01 0.00 7.01 -0.61 -0.28 115.95 122.21 1n9c h TRP 87 Ca 0.01 0.04 -0.25 0.00 2.11 0.00 0.00 58.89 60.80 1n9c h TRP 87 Cb 0.39 -0.12 0.01 0.00 -2.10 0.00 0.00 29.16 27.34 1n9c h TRP 87 CO -0.16 0.06 -1.01 1.25 -2.79 0.00 0.00 178.44 175.79 1n9c h LEU 88 N 0.45 0.67 -0.94 0.65 7.12 0.02 0.97 115.31 124.25 1n9c h LEU 88 Ca 0.43 -0.55 0.14 0.00 0.13 0.00 0.00 57.88 58.04 1n9c h LEU 88 Cb 0.67 -0.21 -0.09 0.00 -0.53 0.00 0.00 40.66 40.50 1n9c h LEU 88 CO -0.42 1.35 0.55 0.00 -0.13 0.00 0.00 178.44 179.80 1n9c h ALA 89 N 0.60 1.45 0.00 1.25 0.00 -0.66 -1.46 119.26 120.44 1n9c h ALA 89 Ca -0.10 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1n9c h ALA 89 Cb 1.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1n9c h ALA 89 CO 0.18 0.04 -0.18 1.49 0.00 0.00 0.00 179.25 180.79 1n9c h GLU 90 N 0.80 0.00 0.00 0.00 4.22 -0.34 -3.35 114.58 115.91 1n9c h GLU 90 Ca 0.50 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.94 1n9c h GLU 90 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1n9c h GLU 90 CO -0.32 0.18 0.00 -0.22 -2.18 0.00 0.00 179.01 176.46 1n9c h LYS 91 N 0.00 0.00 0.00 1.92 3.11 0.29 -3.51 116.57 118.39 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 0.95 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.18 1n9c h LYS 91 CO 0.02 0.00 0.00 0.36 -2.81 0.00 0.00 179.45 177.02