#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 5.66 0.22 4.52 1.01 -1.26 -4.85 116.67 121.97 1n9c s ASP 23 Ca 0.00 0.40 -0.12 0.00 0.71 0.00 0.00 52.55 53.53 1n9c s ASP 23 Cb 0.00 -2.54 0.28 0.00 1.01 0.00 0.00 42.92 41.67 1n9c s ASP 23 CO 0.00 -2.06 1.63 0.00 0.21 0.00 0.00 175.17 174.94 1n9c h ALA 24 N 13.23 0.49 -0.49 5.23 0.00 -1.91 0.29 119.26 136.10 1n9c h ALA 24 Ca -0.27 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1n9c h ALA 24 Cb 1.14 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1n9c h ALA 24 CO 1.19 -0.42 0.29 1.05 0.00 0.00 0.00 179.25 181.35 1n9c h GLU 25 N 0.02 0.67 -1.00 0.00 4.11 -1.91 -1.52 114.58 114.95 1n9c h GLU 25 Ca 0.33 -0.07 0.04 0.00 0.07 0.00 0.00 59.36 59.72 1n9c h GLU 25 Cb 0.51 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 1n9c h GLU 25 CO -0.66 0.50 0.66 0.00 0.07 0.00 0.00 179.01 179.58 1n9c h ALA 26 N 1.13 1.32 0.11 1.06 0.00 -0.92 0.33 119.26 122.30 1n9c h ALA 26 Ca 0.17 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1n9c h ALA 26 Cb 0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 1n9c h ALA 26 CO -0.03 0.56 -0.36 0.28 0.00 0.00 0.00 179.25 179.70 1n9c h VAL 27 N 1.27 0.00 -0.54 0.00 2.07 -0.59 -2.27 116.25 116.20 1n9c h VAL 27 Ca 0.40 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.80 1n9c h VAL 27 Cb -0.01 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 1n9c h VAL 27 CO -0.12 0.00 -0.10 0.58 0.02 0.00 0.00 177.57 177.94 1n9c h VAL 28 N -0.54 1.27 0.00 2.57 2.07 0.05 0.41 116.25 122.08 1n9c h VAL 28 Ca -0.01 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.26 1n9c h VAL 28 Cb 0.53 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1n9c h VAL 28 CO -0.18 0.44 0.00 0.00 0.02 0.00 0.00 177.57 177.85 1n9c n GLN 29 N -4.15 0.20 0.00 1.57 3.00 0.98 -0.80 117.38 118.18 1n9c n GLN 29 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1n9c n GLN 29 Cb 0.40 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 29.18 1n9c n GLN 29 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1n9c n GLN 30 N -0.96 2.38 -0.00 -1.09 7.27 0.22 -4.86 117.38 120.34 1n9c n GLN 30 Ca 0.04 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.12 1n9c n GLN 30 Cb 0.02 -0.81 -0.02 0.00 2.41 0.00 0.00 30.24 31.84 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 -1.21 1.35 -0.04 3.69 5.02 0.12 -4.66 118.16 122.43 1n9c n LYS 31 Ca 0.00 -0.02 -0.06 0.00 -2.02 0.00 0.00 58.31 56.22 1n9c n LYS 31 Cb 0.17 -0.96 -0.04 0.00 -0.02 0.00 0.00 35.03 34.18 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 0.48 -1.19 0.00 3.07 -1.44 0.13 117.51 118.56 1n9c h ILE 33 Ca -0.19 0.00 0.34 0.00 1.55 0.00 0.00 64.86 66.57 1n9c h ILE 33 Cb 1.29 0.51 -0.05 0.00 -0.27 0.00 0.00 36.82 38.31 1n9c h ILE 33 CO -0.03 0.00 0.88 -1.28 -1.05 0.00 0.00 178.15 176.67 1n9c h SER 34 N 0.00 0.00 0.00 2.16 0.87 -1.83 0.18 113.55 114.93 1n9c h SER 34 Ca 0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1n9c h SER 34 Cb 1.79 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.75 1n9c h SER 34 CO -0.00 0.00 -0.82 0.00 -0.53 0.00 0.00 176.83 175.48 1n9c n HIS 36 N -2.41 0.12 0.00 0.00 8.25 0.22 -0.05 115.22 121.35 1n9c n HIS 36 Ca 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1n9c n HIS 36 Cb 0.41 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.96 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 0.68 -1.81 0.41 -1.41 0.00 0.62 -0.28 105.19 103.40 1n9c n GLY 37 Ca 0.05 -1.42 -0.08 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.54 1.58 -0.02 0.00 -1.95 0.20 103.07 102.34 1n9c h GLY 38 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 47.33 48.03 1n9c h GLY 38 CO 0.00 -0.05 0.00 1.22 0.00 0.00 0.00 176.54 177.71 1n9c n ASP 39 N -5.33 0.00 -0.87 0.19 9.92 -1.26 -4.89 116.55 114.30 1n9c n ASP 39 Ca 0.04 -0.09 -0.11 0.00 -0.53 0.00 0.00 54.79 54.11 1n9c n ASP 39 Cb 0.31 -0.29 -0.04 0.00 -0.64 0.00 0.00 41.12 40.46 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 -0.88 0.00 0.64 4.77 0.71 -4.62 117.00 116.34 1n9c n LEU 40 Ca 0.13 0.22 0.11 0.00 -0.03 0.00 0.00 56.01 56.44 1n9c n LEU 40 Cb 0.22 -1.70 0.52 0.00 -2.33 0.00 0.00 43.42 40.14 1n9c n LEU 40 CO 0.21 -0.48 0.86 0.35 -1.33 0.00 0.00 177.39 177.00 1n9c n THR 41 N -2.90 0.38 -0.50 -5.08 -2.24 -1.19 -0.69 114.28 102.05 1n9c n THR 41 Ca -0.11 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1n9c n THR 41 Cb 0.39 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 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 0.74 -0.85 0.01 3.38 0.00 0.62 -3.85 105.19 105.24 1n9c n GLY 42 Ca 0.08 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.62 0.09 1.10 4.61 0.00 -1.13 -4.73 120.51 121.06 1n9c n ALA 43 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.48 1n9c n ALA 43 Cb 0.00 0.00 0.33 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 -1.84 2.24 -3.98 0.00 7.64 0.93 -4.91 113.62 113.71 1n9c n SER 44 Ca 0.00 -1.76 -0.08 0.00 1.01 0.00 0.00 58.87 58.04 1n9c n SER 44 Cb 0.00 -0.07 -0.08 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 0.15 0.98 -0.43 0.00 -1.08 -4.93 121.76 114.61 1n9c s ALA 45 Ca 0.34 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 51.25 1n9c s ALA 45 Cb 0.20 0.51 0.18 0.00 0.00 0.00 0.00 23.12 24.01 1n9c s ALA 45 CO 0.30 -0.48 1.08 -1.25 0.00 0.00 0.00 175.76 175.41 1n9c s PRO 46 N -3.91 0.54 -0.02 0.00 0.04 -1.26 -4.20 135.00 126.18 1n9c s PRO 46 Ca 0.09 0.93 -0.30 0.00 0.04 0.00 0.00 61.00 61.77 1n9c s PRO 46 Cb 0.06 -1.72 -0.07 0.00 0.04 0.00 0.00 34.50 32.82 1n9c s PRO 46 CO -0.08 -2.77 1.72 0.00 0.04 0.00 0.00 177.00 175.91 1n9c s ALA 47 N -2.75 3.62 -0.41 8.56 0.00 -1.25 -4.12 121.76 125.41 1n9c s ALA 47 Ca 0.66 1.06 0.03 0.00 0.00 0.00 0.00 51.96 53.71 1n9c s ALA 47 Cb -0.21 -3.76 0.03 0.00 0.00 0.00 0.00 23.12 19.18 1n9c s ALA 47 CO 0.59 -1.39 0.63 0.44 0.00 0.00 0.00 175.76 176.03 1n9c n ILE 48 N 5.38 0.05 -0.31 0.00 -6.64 0.13 -4.50 119.36 113.48 1n9c n ILE 48 Ca 0.18 -0.53 0.15 0.00 -1.77 0.00 0.00 62.75 60.78 1n9c n ILE 48 Cb 0.42 1.04 0.33 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 0.65 0.10 -0.26 7.28 2.03 -1.26 -0.42 116.42 124.54 1n9c h ASP 49 Ca 0.00 0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.50 1n9c h ASP 49 Cb 0.16 0.24 0.00 0.00 -0.83 0.00 0.00 39.33 38.91 1n9c h ASP 49 CO 0.00 -0.15 0.00 0.29 -1.03 0.00 0.00 179.24 178.35 1n9c n LYS 50 N -5.20 2.23 -0.21 4.15 4.76 -1.26 -4.27 118.16 118.36 1n9c n LYS 50 Ca 0.23 -1.84 0.18 0.00 -2.87 0.00 0.00 58.31 54.01 1n9c n LYS 50 Cb 0.74 -1.47 0.51 0.00 -1.84 0.00 0.00 35.03 32.98 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 4.41 2.19 -0.04 7.82 0.00 -1.29 0.29 119.26 132.63 1n9c h ALA 51 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1n9c h ALA 51 Cb 0.83 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1n9c h ALA 51 CO 0.00 -0.44 -0.08 0.78 0.00 0.00 0.00 179.25 179.51 1n9c h GLY 52 N 0.40 0.06 0.40 0.00 0.00 -1.73 0.31 103.07 102.51 1n9c h GLY 52 Ca 0.43 -0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.65 1n9c h GLY 52 CO -0.15 0.03 -0.37 0.00 0.00 0.00 0.00 176.54 176.05 1n9c h ALA 53 N 1.87 -0.02 -0.04 3.60 0.00 -0.80 -3.40 119.26 120.47 1n9c h ALA 53 Ca 0.01 -0.56 -0.13 0.00 0.00 0.00 0.00 54.91 54.23 1n9c h ALA 53 Cb 0.18 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1n9c h ALA 53 CO 0.01 0.16 -0.49 -0.91 0.00 0.00 0.00 179.25 178.02 1n9c h ASN 54 N -0.60 0.51 -5.17 0.00 2.35 -0.80 -3.46 115.58 108.40 1n9c h ASN 54 Ca -0.06 -0.70 -0.53 0.00 -0.55 0.00 0.00 56.30 54.46 1n9c h ASN 54 Cb 1.22 -0.15 -0.07 0.00 0.05 0.00 0.00 38.32 39.37 1n9c h ASN 54 CO 0.07 1.14 -0.31 -1.22 -1.65 0.00 0.00 177.43 175.46 1n9c n TYR 55 N -4.28 0.03 -4.57 1.19 4.01 0.11 -5.08 117.16 108.57 1n9c n TYR 55 Ca -0.09 -2.06 -0.26 0.00 -0.16 0.00 0.00 57.90 55.32 1n9c n TYR 55 Cb 0.61 -0.34 -0.10 0.00 -0.31 0.00 0.00 39.34 39.19 1n9c n TYR 55 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1n9c s SER 56 N -3.60 3.31 0.22 7.72 0.15 -1.26 -4.38 113.70 115.85 1n9c s SER 56 Ca 0.15 -1.44 -0.07 0.00 0.70 0.00 0.00 55.95 55.29 1n9c s SER 56 Cb -0.01 -0.08 0.32 0.00 -1.71 0.00 0.00 66.02 64.54 1n9c s SER 56 CO 0.10 -0.60 1.78 1.05 1.20 0.00 0.00 173.24 176.76 1n9c h GLU 57 N 1.83 0.58 -0.49 5.44 4.11 -1.91 -0.78 114.58 123.35 1n9c h GLU 57 Ca -0.42 -0.03 0.09 0.00 0.07 0.00 0.00 59.36 59.07 1n9c h GLU 57 Cb 1.26 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 30.30 1n9c h GLU 57 CO 0.74 0.38 0.03 1.05 0.07 0.00 0.00 179.01 181.29 1n9c h GLU 58 N 0.60 0.15 0.03 1.06 9.09 -1.97 0.20 114.58 123.74 1n9c h GLU 58 Ca 0.34 -0.01 -0.00 0.00 0.05 0.00 0.00 59.36 59.74 1n9c h GLU 58 Cb 0.35 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.42 1n9c h GLU 58 CO -0.26 0.10 -0.01 0.93 0.05 0.00 0.00 179.01 179.81 1n9c h GLU 59 N 0.15 -0.03 -0.28 1.06 5.08 -1.63 -0.37 114.58 118.56 1n9c h GLU 59 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1n9c h GLU 59 Cb 0.37 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1n9c h GLU 59 CO -0.38 0.27 0.18 0.82 -1.00 0.00 0.00 179.01 178.90 1n9c h ILE 60 N -0.34 1.08 -0.23 3.13 2.04 -0.83 0.76 117.51 123.12 1n9c h ILE 60 Ca -0.00 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.75 1n9c h ILE 60 Cb 0.32 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 1n9c h ILE 60 CO 0.01 0.08 -0.35 0.25 0.00 0.00 0.00 178.15 178.13 1n9c h LEU 61 N 0.38 -1.13 -0.39 1.44 5.85 -0.57 0.64 115.31 121.52 1n9c h LEU 61 Ca 0.10 0.17 0.06 0.00 0.84 0.00 0.00 57.88 59.06 1n9c h LEU 61 Cb -0.03 0.49 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 1n9c h LEU 61 CO -0.02 -0.36 0.06 -0.78 -0.34 0.00 0.00 178.44 176.99 1n9c h ASP 62 N -0.37 -0.04 -0.31 1.25 3.58 -0.26 -0.38 116.42 119.90 1n9c h ASP 62 Ca 0.12 0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.66 1n9c h ASP 62 Cb 0.56 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.70 1n9c h ASP 62 CO -0.43 0.02 0.16 0.40 -2.88 0.00 0.00 179.24 176.50 1n9c h ILE 63 N 0.17 1.00 -0.19 2.25 5.03 -0.14 0.30 117.51 125.94 1n9c h ILE 63 Ca 0.19 -0.11 0.01 0.00 -0.12 0.00 0.00 64.86 64.82 1n9c h ILE 63 Cb 0.24 0.64 -0.01 0.00 -3.03 0.00 0.00 36.82 34.66 1n9c h ILE 63 CO -0.27 0.06 0.11 0.40 -0.68 0.00 0.00 178.15 177.77 1n9c h ILE 64 N 0.33 1.02 -0.44 -0.67 2.04 0.01 0.53 117.51 120.33 1n9c h ILE 64 Ca 0.13 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.85 1n9c h ILE 64 Cb 0.03 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1n9c h ILE 64 CO -0.08 0.04 0.04 -0.07 0.00 0.00 0.00 178.15 178.08 1n9c h LEU 65 N 0.22 0.73 0.00 1.44 3.38 -0.76 0.70 115.31 121.02 1n9c h LEU 65 Ca 0.07 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1n9c h LEU 65 Cb -0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1n9c h LEU 65 CO -0.04 0.83 -0.51 0.78 0.09 0.00 0.00 178.44 179.60 1n9c h ASN 66 N 0.61 0.00 -0.32 -0.43 2.35 -0.13 -2.48 115.58 115.17 1n9c h ASN 66 Ca 0.13 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1n9c h ASN 66 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1n9c h ASN 66 CO 0.02 0.90 0.00 0.61 -1.65 0.00 0.00 177.43 177.31 1n9c n GLY 67 N 1.61 0.69 3.51 2.83 0.00 0.18 -4.32 105.19 109.68 1n9c n GLY 67 Ca -0.12 -2.15 -0.10 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.71 1.37 0.18 1.61 2.00 -1.00 -4.41 119.66 118.70 1n9c s GLN 68 Ca 0.00 -0.67 -0.15 0.00 -2.00 0.00 0.00 55.36 52.54 1n9c s GLN 68 Cb 0.00 0.57 0.18 0.00 0.80 0.00 0.00 33.01 34.55 1n9c s GLN 68 CO 0.00 -0.59 1.25 0.41 -0.50 0.00 0.00 175.29 175.86 1n9c n GLY 69 N -0.37 -1.70 1.79 2.59 0.00 -1.26 -0.49 105.19 105.76 1n9c n GLY 69 Ca -0.13 0.91 -0.16 0.00 0.00 0.00 0.00 46.02 46.63 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 -1.37 4.77 2.81 -0.02 0.00 -1.26 -4.95 105.19 105.17 1n9c n GLY 70 Ca 0.08 -1.23 -0.17 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.31 0.30 0.17 1.61 0.00 0.35 -5.07 119.30 113.34 1n9c s MET 71 Ca 0.52 0.08 -0.11 0.00 0.00 0.00 0.00 55.69 56.18 1n9c s MET 71 Cb 0.45 -0.49 0.06 0.00 0.00 0.00 0.00 34.83 34.85 1n9c s MET 71 CO 0.05 -0.14 1.68 -1.00 0.00 0.00 0.00 175.02 175.61 1n9c h PRO 72 N 7.29 0.92 0.00 4.11 0.13 -1.93 -2.64 132.00 139.89 1n9c h PRO 72 Ca -0.42 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1n9c h PRO 72 Cb 1.13 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1n9c h PRO 72 CO 0.47 0.85 0.00 0.41 -0.23 0.00 0.00 178.00 179.50 1n9c n GLY 73 N -0.64 -1.56 2.43 1.56 0.00 -1.26 -4.48 105.19 101.24 1n9c n GLY 73 Ca 0.03 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.63 1.41 0.29 -0.02 0.00 0.24 -4.83 105.19 100.64 1n9c n GLY 74 Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 1.19 -3.91 -0.61 2.04 -1.87 -3.42 117.51 110.94 1n9c h ILE 75 Ca -0.28 -0.70 -0.23 0.00 1.00 0.00 0.00 64.86 64.65 1n9c h ILE 75 Cb 0.91 0.80 -0.24 0.00 -0.74 0.00 0.00 36.82 37.55 1n9c h ILE 75 CO 0.40 0.25 -0.72 0.00 0.00 0.00 0.00 178.15 178.09 1n9c s ALA 76 N -5.12 0.24 0.17 1.87 0.00 -1.26 -5.07 121.76 112.58 1n9c s ALA 76 Ca -0.08 -0.43 -0.09 0.00 0.00 0.00 0.00 51.96 51.35 1n9c s ALA 76 Cb 0.16 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 1n9c s ALA 76 CO 0.77 -0.05 0.29 -1.59 0.00 0.00 0.00 175.76 175.18 1n9c s LYS 77 N -0.94 1.16 4.14 0.00 -2.85 -1.26 -4.24 119.74 115.76 1n9c s LYS 77 Ca -0.08 -1.17 0.00 0.00 -1.00 0.00 0.00 55.97 53.72 1n9c s LYS 77 Cb -0.06 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 1n9c s LYS 77 CO -0.00 -0.43 0.00 0.41 0.10 0.00 0.00 175.35 175.43 1n9c n GLY 78 N -0.22 2.31 0.36 0.59 0.00 -1.26 -2.11 105.19 104.86 1n9c n GLY 78 Ca -0.07 -0.38 0.34 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 n ALA 79 N 7.42 1.12 0.45 4.61 0.00 -1.26 -0.67 120.51 132.19 1n9c n ALA 79 Ca 0.00 0.97 -0.20 0.00 0.00 0.00 0.00 53.44 54.22 1n9c n ALA 79 Cb 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.33 1n9c n ALA 79 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1n9c h GLU 80 N 0.00 -1.13 -0.50 0.00 4.81 -1.79 0.10 114.58 116.07 1n9c h GLU 80 Ca 0.85 0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 60.08 1n9c h GLU 80 Cb 2.40 0.26 -0.02 0.00 0.63 0.00 0.00 28.75 32.02 1n9c h GLU 80 CO -0.68 -0.75 0.02 0.00 -0.73 0.00 0.00 179.01 176.86 1n9c h ALA 81 N -1.04 0.68 -0.27 2.92 0.00 -0.93 -0.82 119.26 119.80 1n9c h ALA 81 Ca -0.11 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.58 1n9c h ALA 81 Cb 0.91 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 1n9c h ALA 81 CO 0.17 0.47 -0.18 0.93 0.00 0.00 0.00 179.25 180.64 1n9c h GLU 82 N 0.74 -0.16 0.01 0.00 5.08 -0.98 0.11 114.58 119.39 1n9c h GLU 82 Ca 0.15 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1n9c h GLU 82 Cb 0.49 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1n9c h GLU 82 CO 0.02 -0.10 -0.10 0.00 -1.00 0.00 0.00 179.01 177.83 1n9c h ALA 83 N 0.99 -0.12 -0.09 3.43 0.00 -0.59 -2.81 119.26 120.06 1n9c h ALA 83 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1n9c h ALA 83 Cb 0.38 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1n9c h ALA 83 CO -0.37 -0.60 -0.47 0.28 0.00 0.00 0.00 179.25 178.09 1n9c h VAL 84 N -0.18 0.00 -0.33 0.00 2.07 -0.44 -2.14 116.25 115.23 1n9c h VAL 84 Ca 0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.62 1n9c h VAL 84 Cb 0.22 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.91 1n9c h VAL 84 CO -0.09 0.00 -0.38 0.00 0.02 0.00 0.00 177.57 177.12 1n9c h ALA 85 N -0.47 -0.36 0.15 1.67 0.00 -0.60 0.52 119.26 120.17 1n9c h ALA 85 Ca 0.02 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1n9c h ALA 85 Cb 0.60 0.78 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1n9c h ALA 85 CO -0.37 -0.82 -0.20 0.00 0.00 0.00 0.00 179.25 177.86 1n9c h ALA 86 N 0.50 -0.37 -0.81 0.00 0.00 -1.48 0.59 119.26 117.69 1n9c h ALA 86 Ca 0.14 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1n9c h ALA 86 Cb 0.57 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1n9c h ALA 86 CO -0.51 -0.74 0.53 2.35 0.00 0.00 0.00 179.25 180.88 1n9c h TRP 87 N -0.41 0.89 -0.15 0.00 7.01 -0.64 0.18 115.95 122.83 1n9c h TRP 87 Ca 0.01 0.02 -0.15 0.00 2.11 0.00 0.00 58.89 60.89 1n9c h TRP 87 Cb 0.41 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 27.18 1n9c h TRP 87 CO -0.18 0.47 -0.48 1.25 -2.79 0.00 0.00 178.44 176.71 1n9c h LEU 88 N 0.88 0.68 -1.31 0.65 7.12 0.53 -0.63 115.31 123.22 1n9c h LEU 88 Ca 0.35 -0.60 0.14 0.00 0.13 0.00 0.00 57.88 57.90 1n9c h LEU 88 Cb 0.24 -0.20 -0.07 0.00 -0.53 0.00 0.00 40.66 40.11 1n9c h LEU 88 CO -0.13 1.16 0.56 0.00 -0.13 0.00 0.00 178.44 179.91 1n9c h ALA 89 N 0.54 1.85 0.00 1.25 0.00 -0.47 -0.54 119.26 121.89 1n9c h ALA 89 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n9c h ALA 89 Cb 1.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1n9c h ALA 89 CO 0.10 -0.08 0.00 1.49 0.00 0.00 0.00 179.25 180.76 1n9c h GLU 90 N 0.68 0.00 0.00 0.00 4.22 -0.22 -3.36 114.58 115.91 1n9c h GLU 90 Ca 0.44 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.88 1n9c h GLU 90 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1n9c h GLU 90 CO -0.19 0.00 0.00 1.17 -2.18 0.00 0.00 179.01 177.81 1n9c n LYS 91 N -2.88 0.41 0.00 1.92 0.00 -0.21 -5.08 118.16 112.32 1n9c n LYS 91 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 58.31 58.39 1n9c n LYS 91 Cb 0.37 -1.12 0.05 0.00 0.00 0.00 0.00 35.03 34.33 1n9c n LYS 91 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76