#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 5.60 0.13 4.52 1.11 -1.26 -4.84 116.67 121.94 1n9c s ASP 23 Ca 0.00 -0.14 -0.23 0.00 0.18 0.00 0.00 52.55 52.36 1n9c s ASP 23 Cb 0.00 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.43 1n9c s ASP 23 CO 0.00 -2.20 1.65 0.00 1.18 0.00 0.00 175.17 175.79 1n9c h ALA 24 N 12.73 -0.17 -0.50 5.23 0.00 -1.93 0.33 119.26 134.94 1n9c h ALA 24 Ca -0.19 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1n9c h ALA 24 Cb 1.10 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1n9c h ALA 24 CO 1.25 -0.67 0.25 1.05 0.00 0.00 0.00 179.25 181.13 1n9c h GLU 25 N -0.27 0.72 -0.61 0.00 4.11 -1.91 -2.46 114.58 114.16 1n9c h GLU 25 Ca 0.10 -0.10 0.07 0.00 0.07 0.00 0.00 59.36 59.50 1n9c h GLU 25 Cb 0.41 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 1n9c h GLU 25 CO -0.28 0.59 0.29 0.00 0.07 0.00 0.00 179.01 179.68 1n9c h ALA 26 N 1.09 0.80 -0.08 1.06 0.00 -1.56 0.30 119.26 120.87 1n9c h ALA 26 Ca 0.17 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1n9c h ALA 26 Cb 0.10 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1n9c h ALA 26 CO -0.02 -0.09 -0.50 0.28 0.00 0.00 0.00 179.25 178.92 1n9c h VAL 27 N 0.52 0.00 -0.53 0.00 2.07 -0.77 -2.00 116.25 115.53 1n9c h VAL 27 Ca 0.29 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.71 1n9c h VAL 27 Cb 0.27 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1n9c h VAL 27 CO -0.23 0.00 -0.06 0.58 0.02 0.00 0.00 177.57 177.87 1n9c h VAL 28 N -0.56 1.27 0.00 2.57 2.07 -0.54 0.35 116.25 121.40 1n9c h VAL 28 Ca 0.02 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1n9c h VAL 28 Cb 0.64 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1n9c h VAL 28 CO -0.37 0.42 0.00 0.00 0.02 0.00 0.00 177.57 177.64 1n9c n GLN 29 N -4.21 0.02 0.00 1.57 1.13 0.86 -1.16 117.38 115.58 1n9c n GLN 29 Ca 0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1n9c n GLN 29 Cb 0.37 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.27 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 -0.95 3.46 -0.00 -1.09 7.27 -0.01 -4.87 117.38 121.19 1n9c n GLN 30 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.10 1n9c n GLN 30 Cb 0.00 -0.64 -0.04 0.00 2.41 0.00 0.00 30.24 31.97 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 -0.56 2.18 0.00 3.69 5.02 0.10 -4.72 118.16 123.88 1n9c n LYS 31 Ca 0.00 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1n9c n LYS 31 Cb 0.04 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 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 0.43 -0.90 0.00 3.07 -1.46 -0.08 117.51 118.57 1n9c h ILE 33 Ca 0.00 0.00 0.28 0.00 1.55 0.00 0.00 64.86 66.69 1n9c h ILE 33 Cb 0.92 0.43 -0.17 0.00 -0.27 0.00 0.00 36.82 37.74 1n9c h ILE 33 CO 0.00 0.00 0.14 -0.24 -1.05 0.00 0.00 178.15 177.00 1n9c n SER 34 N -4.17 -0.00 -0.04 2.16 2.88 -1.26 -0.16 113.62 113.03 1n9c n SER 34 Ca 0.24 1.53 -0.07 0.00 -1.33 0.00 0.00 58.87 59.24 1n9c n SER 34 Cb 1.18 -0.60 -0.04 0.00 -0.75 0.00 0.00 64.21 64.00 1n9c n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n9c h HIS 36 N -0.06 0.00 0.00 0.00 3.86 -1.05 0.27 115.15 118.17 1n9c h HIS 36 Ca -0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 1n9c h HIS 36 Cb 1.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.76 1n9c h HIS 36 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1n9c n GLY 37 N 0.17 -0.64 0.40 2.45 0.00 0.78 -0.40 105.19 107.95 1n9c n GLY 37 Ca 0.02 -1.52 -0.07 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.44 1.59 -0.02 0.00 -1.95 0.19 103.07 102.43 1n9c h GLY 38 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.95 1n9c h GLY 38 CO 0.00 -0.11 0.00 1.22 0.00 0.00 0.00 176.54 177.65 1n9c n ASP 39 N -5.38 0.00 -1.10 0.19 9.92 -1.26 -4.88 116.55 114.04 1n9c n ASP 39 Ca 0.04 -0.05 -0.14 0.00 -0.53 0.00 0.00 54.79 54.11 1n9c n ASP 39 Cb 0.34 -0.29 -0.06 0.00 -0.64 0.00 0.00 41.12 40.47 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 -1.29 -1.05 -0.07 0.64 4.77 0.67 -4.66 117.00 116.01 1n9c n LEU 40 Ca 0.12 0.34 0.14 0.00 -0.03 0.00 0.00 56.01 56.57 1n9c n LEU 40 Cb 0.20 -2.10 0.79 0.00 -2.33 0.00 0.00 43.42 39.98 1n9c n LEU 40 CO 0.19 -0.72 1.01 0.35 -1.33 0.00 0.00 177.39 176.90 1n9c n THR 41 N -2.64 0.01 -0.43 -5.08 -2.24 -1.23 -0.71 114.28 101.95 1n9c n THR 41 Ca -0.14 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1n9c n THR 41 Cb 0.47 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 0.97 0.32 0.00 3.38 0.00 0.46 -4.07 105.19 106.26 1n9c n GLY 42 Ca 0.21 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.16 0.00 1.08 4.61 0.00 -0.64 -4.62 120.51 120.79 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 0.01 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.78 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 2.32 -4.04 0.00 7.64 0.93 -4.90 113.62 115.08 1n9c n SER 44 Ca 0.00 -1.78 -0.08 0.00 1.01 0.00 0.00 58.87 58.02 1n9c n SER 44 Cb 0.00 -0.07 -0.09 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.86 0.40 0.99 -0.43 0.00 -1.13 -4.92 121.76 114.80 1n9c s ALA 45 Ca 0.34 -1.12 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 1n9c s ALA 45 Cb 0.20 0.55 0.18 0.00 0.00 0.00 0.00 23.12 24.05 1n9c s ALA 45 CO 0.31 -0.46 1.09 -1.25 0.00 0.00 0.00 175.76 175.44 1n9c s PRO 46 N -3.95 0.49 -0.27 0.00 0.04 -1.26 -4.21 135.00 125.84 1n9c s PRO 46 Ca 0.12 1.08 -0.29 0.00 0.04 0.00 0.00 61.00 61.96 1n9c s PRO 46 Cb 0.07 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.89 1n9c s PRO 46 CO -0.06 -2.84 1.64 0.00 0.04 0.00 0.00 177.00 175.78 1n9c s ALA 47 N -2.68 3.15 -1.56 8.56 0.00 -1.26 -4.16 121.76 123.81 1n9c s ALA 47 Ca 0.66 0.36 0.14 0.00 0.00 0.00 0.00 51.96 53.12 1n9c s ALA 47 Cb -0.22 -3.90 0.06 0.00 0.00 0.00 0.00 23.12 19.07 1n9c s ALA 47 CO 0.60 -2.15 0.87 0.44 0.00 0.00 0.00 175.76 175.52 1n9c n ILE 48 N 6.72 0.00 -0.25 0.00 -6.64 -0.06 -4.50 119.36 114.63 1n9c n ILE 48 Ca 0.19 -0.44 -0.01 0.00 -1.77 0.00 0.00 62.75 60.72 1n9c n ILE 48 Cb 0.46 1.24 0.02 0.00 -1.44 0.00 0.00 39.64 39.92 1n9c n ILE 48 CO 0.00 0.00 0.00 -0.90 -1.77 0.00 0.00 176.55 173.88 1n9c n ASP 49 N 0.38 -0.44 -0.84 7.28 5.75 0.11 -0.61 116.55 128.20 1n9c n ASP 49 Ca 0.07 1.13 0.12 0.00 -0.01 0.00 0.00 54.79 56.10 1n9c n ASP 49 Cb 0.33 -0.25 0.28 0.00 -1.03 0.00 0.00 41.12 40.45 1n9c n ASP 49 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1n9c n LYS 50 N -4.94 2.12 -0.32 0.11 0.00 -1.26 -4.40 118.16 109.46 1n9c n LYS 50 Ca 0.06 -1.66 0.17 0.00 -0.00 0.00 0.00 58.31 56.88 1n9c n LYS 50 Cb 0.25 -1.46 0.42 0.00 -0.00 0.00 0.00 35.03 34.24 1n9c n LYS 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1n9c h ALA 51 N 4.39 1.96 -0.15 0.58 0.00 -1.10 0.33 119.26 125.26 1n9c h ALA 51 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1n9c h ALA 51 Cb 0.77 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1n9c h ALA 51 CO 0.00 -0.33 0.14 0.78 0.00 0.00 0.00 179.25 179.84 1n9c h GLY 52 N 0.57 0.00 0.79 0.00 0.00 -1.63 0.40 103.07 103.19 1n9c h GLY 52 Ca 0.56 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.76 1n9c h GLY 52 CO -0.31 0.00 -0.45 0.00 0.00 0.00 0.00 176.54 175.78 1n9c h ALA 53 N 1.87 0.15 -0.10 3.60 0.00 -0.64 -3.38 119.26 120.77 1n9c h ALA 53 Ca 0.07 -0.49 -0.22 0.00 0.00 0.00 0.00 54.91 54.27 1n9c h ALA 53 Cb 0.34 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1n9c h ALA 53 CO -0.00 0.31 -0.82 -0.91 0.00 0.00 0.00 179.25 177.82 1n9c h ASN 54 N -0.02 0.80 -5.25 0.00 4.21 -0.86 -3.47 115.58 111.00 1n9c h ASN 54 Ca -0.04 -0.55 -0.12 0.00 1.21 0.00 0.00 56.30 56.80 1n9c h ASN 54 Cb 1.11 -0.24 -0.15 0.00 -1.12 0.00 0.00 38.32 37.92 1n9c h ASN 54 CO 0.09 1.34 -0.66 -0.31 -1.29 0.00 0.00 177.43 176.61 1n9c s TYR 55 N -3.61 0.52 0.45 1.19 2.02 0.13 -5.10 117.35 112.94 1n9c s TYR 55 Ca -0.09 -1.05 0.02 0.00 -0.37 0.00 0.00 57.07 55.58 1n9c s TYR 55 Cb 0.09 -0.37 0.00 0.00 -0.40 0.00 0.00 41.96 41.28 1n9c s TYR 55 CO 0.89 -0.40 0.65 -1.12 -1.57 0.00 0.00 175.55 174.00 1n9c s SER 56 N -2.93 5.74 0.24 2.29 0.01 -1.26 -3.94 113.70 113.85 1n9c s SER 56 Ca 0.08 0.13 -0.06 0.00 1.31 0.00 0.00 55.95 57.40 1n9c s SER 56 Cb 0.08 -1.32 0.42 0.00 0.21 0.00 0.00 66.02 65.40 1n9c s SER 56 CO -0.09 -0.75 1.70 1.05 0.41 0.00 0.00 173.24 175.56 1n9c h GLU 57 N 0.42 0.28 -0.59 12.44 4.11 -1.92 -1.17 114.58 128.15 1n9c h GLU 57 Ca -0.45 -0.02 0.12 0.00 0.07 0.00 0.00 59.36 59.08 1n9c h GLU 57 Cb 1.26 -0.06 -0.11 0.00 0.50 0.00 0.00 28.75 30.34 1n9c h GLU 57 CO 0.55 0.19 -0.13 1.05 0.07 0.00 0.00 179.01 180.73 1n9c h GLU 58 N 0.29 0.01 0.10 1.06 4.11 -1.95 0.28 114.58 118.48 1n9c h GLU 58 Ca 0.39 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.81 1n9c h GLU 58 Cb 0.63 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1n9c h GLU 58 CO -0.47 0.01 -0.05 0.93 0.07 0.00 0.00 179.01 179.50 1n9c h GLU 59 N 0.01 -0.13 -0.25 1.06 5.08 -1.67 -1.96 114.58 116.72 1n9c h GLU 59 Ca 0.29 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1n9c h GLU 59 Cb 0.44 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1n9c h GLU 59 CO -0.60 0.15 0.16 0.82 -1.00 0.00 0.00 179.01 178.54 1n9c h ILE 60 N -0.41 1.07 -0.32 3.13 2.04 -0.70 -0.12 117.51 122.20 1n9c h ILE 60 Ca -0.01 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.76 1n9c h ILE 60 Cb 0.34 0.72 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 1n9c h ILE 60 CO 0.02 0.07 -0.42 0.25 0.00 0.00 0.00 178.15 178.07 1n9c h LEU 61 N 0.33 -1.37 -0.36 1.44 5.85 -0.49 0.11 115.31 120.82 1n9c h LEU 61 Ca 0.09 0.20 0.05 0.00 0.84 0.00 0.00 57.88 59.06 1n9c h LEU 61 Cb -0.02 0.59 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1n9c h LEU 61 CO -0.02 -0.38 0.11 -0.78 -0.34 0.00 0.00 178.44 177.02 1n9c h ASP 62 N -0.37 0.09 -0.61 1.25 3.58 -0.69 -0.03 116.42 119.64 1n9c h ASP 62 Ca 0.12 0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.64 1n9c h ASP 62 Cb 0.59 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.65 1n9c h ASP 62 CO -0.52 0.09 0.38 0.40 -2.88 0.00 0.00 179.24 176.71 1n9c h ILE 63 N 0.24 1.10 0.06 2.25 2.04 -0.21 0.29 117.51 123.28 1n9c h ILE 63 Ca 0.17 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1n9c h ILE 63 Cb 0.17 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1n9c h ILE 63 CO -0.19 0.14 -0.03 0.40 0.00 0.00 0.00 178.15 178.47 1n9c h ILE 64 N 0.76 0.98 -0.94 -0.67 2.04 -0.22 0.48 117.51 119.94 1n9c h ILE 64 Ca 0.24 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 1n9c h ILE 64 Cb -0.02 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 1n9c h ILE 64 CO -0.08 0.03 0.57 -0.07 0.00 0.00 0.00 178.15 178.60 1n9c h LEU 65 N -0.14 1.12 0.00 1.44 3.38 -0.36 0.17 115.31 120.92 1n9c h LEU 65 Ca -0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1n9c h LEU 65 Cb 0.12 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1n9c h LEU 65 CO 0.01 0.85 -0.65 0.59 0.09 0.00 0.00 178.44 179.34 1n9c n ASN 66 N -4.36 1.64 0.00 -0.43 3.02 0.96 -2.23 115.26 113.86 1n9c n ASN 66 Ca 0.11 0.45 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 1n9c n ASN 66 Cb 0.05 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 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 1.55 0.98 3.40 7.41 0.00 0.17 -4.12 105.19 114.59 1n9c n GLY 67 Ca -0.09 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.35 1.22 0.00 1.61 2.00 -1.18 -4.53 119.66 117.44 1n9c s GLN 68 Ca 0.00 -1.02 0.00 0.00 -2.00 0.00 0.00 55.36 52.34 1n9c s GLN 68 Cb 0.00 0.44 0.00 0.00 0.80 0.00 0.00 33.01 34.25 1n9c s GLN 68 CO 0.00 -0.48 0.00 0.41 -0.50 0.00 0.00 175.29 174.72 1n9c n GLY 69 N -0.25 0.00 2.25 2.59 0.00 -1.26 -0.14 105.19 108.38 1n9c n GLY 69 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 5.17 3.29 -0.02 0.00 -1.26 -4.91 105.19 107.46 1n9c n GLY 70 Ca 0.00 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 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 -3.55 3.30 0.27 1.61 0.00 0.80 -5.04 119.30 116.69 1n9c s MET 71 Ca 0.60 -0.69 -0.04 0.00 0.00 0.00 0.00 55.69 55.56 1n9c s MET 71 Cb 0.49 -2.77 0.33 0.00 0.00 0.00 0.00 34.83 32.89 1n9c s MET 71 CO 0.05 -0.04 1.88 -1.00 0.00 0.00 0.00 175.02 175.92 1n9c h PRO 72 N 7.52 1.10 0.00 4.11 0.13 -1.91 -3.11 132.00 139.83 1n9c h PRO 72 Ca -0.36 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1n9c h PRO 72 Cb 1.18 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1n9c h PRO 72 CO 0.59 0.81 0.00 0.41 -0.23 0.00 0.00 178.00 179.58 1n9c n GLY 73 N -1.15 -2.30 2.47 1.56 0.00 -1.26 -4.62 105.19 99.89 1n9c n GLY 73 Ca 0.08 -1.48 -0.17 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.99 1.43 0.22 -0.02 0.00 0.61 -4.84 105.19 100.60 1n9c n GLY 74 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 1.17 -3.97 -0.61 2.04 -1.86 -3.41 117.51 110.87 1n9c h ILE 75 Ca -0.35 -0.78 -0.19 0.00 1.00 0.00 0.00 64.86 64.54 1n9c h ILE 75 Cb 1.12 1.40 -0.21 0.00 -0.74 0.00 0.00 36.82 38.39 1n9c h ILE 75 CO 0.50 0.23 -0.71 0.00 0.00 0.00 0.00 178.15 178.17 1n9c s ALA 76 N -4.55 0.17 0.14 1.87 0.00 -1.26 -5.08 121.76 113.05 1n9c s ALA 76 Ca -0.04 -0.58 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 1n9c s ALA 76 Cb 0.15 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 1n9c s ALA 76 CO 0.71 -0.13 0.16 0.15 0.00 0.00 0.00 175.76 176.64 1n9c s LYS 77 N -1.40 1.00 4.85 0.00 1.02 -1.26 -4.23 119.74 119.72 1n9c s LYS 77 Ca -0.14 -1.27 0.00 0.00 0.02 0.00 0.00 55.97 54.58 1n9c s LYS 77 Cb -0.09 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.52 1n9c s LYS 77 CO -0.01 -0.32 0.00 0.41 -0.92 0.00 0.00 175.35 174.51 1n9c n GLY 78 N -0.13 2.57 0.45 -3.33 0.00 -1.26 -2.41 105.19 101.08 1n9c n GLY 78 Ca -0.08 -0.37 0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.83 2.56 0.55 4.61 0.00 -1.99 0.23 119.26 124.38 1n9c h ALA 79 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1n9c h ALA 79 Cb 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1n9c h ALA 79 CO 0.00 -1.03 -0.31 1.49 0.00 0.00 0.00 179.25 179.40 1n9c h GLU 80 N 0.23 -0.77 -0.39 0.00 4.81 -1.85 0.12 114.58 116.72 1n9c h GLU 80 Ca 0.67 0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.83 1n9c h GLU 80 Cb 2.02 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 31.56 1n9c h GLU 80 CO -0.29 -0.51 -0.27 0.00 -0.73 0.00 0.00 179.01 177.20 1n9c h ALA 81 N -0.38 0.77 0.08 2.92 0.00 -0.66 -0.60 119.26 121.39 1n9c h ALA 81 Ca -0.07 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.46 1n9c h ALA 81 Cb 0.64 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1n9c h ALA 81 CO 0.09 0.65 -0.18 0.93 0.00 0.00 0.00 179.25 180.74 1n9c h GLU 82 N 0.71 -0.33 -0.13 0.00 5.08 -1.01 0.15 114.58 119.05 1n9c h GLU 82 Ca 0.09 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1n9c h GLU 82 Cb 0.81 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 1n9c h GLU 82 CO 0.07 -0.22 -0.22 0.00 -1.00 0.00 0.00 179.01 177.64 1n9c h ALA 83 N 0.50 -0.18 0.02 3.43 0.00 -0.54 -0.83 119.26 121.66 1n9c h ALA 83 Ca 0.03 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1n9c h ALA 83 Cb 0.37 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1n9c h ALA 83 CO -0.12 -0.67 -0.43 0.28 0.00 0.00 0.00 179.25 178.31 1n9c h VAL 84 N -0.27 0.00 -0.32 0.00 2.07 -0.88 -1.86 116.25 114.99 1n9c h VAL 84 Ca 0.10 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.69 1n9c h VAL 84 Cb 0.42 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.12 1n9c h VAL 84 CO -0.29 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 177.11 1n9c h ALA 85 N -0.66 0.03 0.41 1.67 0.00 -0.15 0.34 119.26 120.91 1n9c h ALA 85 Ca 0.01 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1n9c h ALA 85 Cb 0.59 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1n9c h ALA 85 CO -0.28 -0.58 -0.32 0.00 0.00 0.00 0.00 179.25 178.07 1n9c h ALA 86 N 1.05 -0.75 -0.94 0.00 0.00 -1.12 0.25 119.26 117.75 1n9c h ALA 86 Ca 0.17 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1n9c h ALA 86 Cb 0.41 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 1n9c h ALA 86 CO -0.42 -0.95 0.56 2.35 0.00 0.00 0.00 179.25 180.80 1n9c h TRP 87 N -0.73 1.01 0.00 0.00 7.01 -0.73 0.34 115.95 122.85 1n9c h TRP 87 Ca -0.04 0.03 -0.17 0.00 2.11 0.00 0.00 58.89 60.82 1n9c h TRP 87 Cb 0.63 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 27.36 1n9c h TRP 87 CO -0.15 0.37 -0.82 1.25 -2.79 0.00 0.00 178.44 176.30 1n9c h LEU 88 N 0.87 0.00 -1.37 0.65 7.12 0.02 -0.10 115.31 122.50 1n9c h LEU 88 Ca 0.47 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 58.42 1n9c h LEU 88 Cb 0.52 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 1n9c h LEU 88 CO -0.29 0.82 -0.30 0.00 -0.13 0.00 0.00 178.44 178.54 1n9c h ALA 89 N 1.18 1.29 -0.01 1.25 0.00 0.14 -2.00 119.26 121.11 1n9c h ALA 89 Ca -0.01 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 1n9c h ALA 89 Cb 1.58 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1n9c h ALA 89 CO 0.11 0.38 -0.73 1.49 0.00 0.00 0.00 179.25 180.49 1n9c h GLU 90 N 0.00 0.06 0.00 0.00 4.22 -0.37 -3.41 114.58 115.08 1n9c h GLU 90 Ca -0.00 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.38 1n9c h GLU 90 Cb 0.61 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1n9c h GLU 90 CO 0.04 0.76 0.00 1.17 -2.18 0.00 0.00 179.01 178.80 1n9c n LYS 91 N -3.70 0.13 0.00 1.92 3.00 -0.10 -5.04 118.16 114.37 1n9c n LYS 91 Ca -0.01 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.37 1n9c n LYS 91 Cb 0.71 -1.03 0.06 0.00 0.00 0.00 0.00 35.03 34.77 1n9c n LYS 91 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76