#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 5.97 0.21 4.52 1.11 -1.26 -4.88 116.67 122.34 1n9c s ASP 23 Ca 0.00 0.10 -0.16 0.00 0.18 0.00 0.00 52.55 52.68 1n9c s ASP 23 Cb 0.00 -2.55 0.23 0.00 1.07 0.00 0.00 42.92 41.68 1n9c s ASP 23 CO 0.00 -1.88 1.59 0.00 1.18 0.00 0.00 175.17 176.07 1n9c h ALA 24 N 11.56 0.26 -0.51 5.23 0.00 -1.93 0.21 119.26 134.09 1n9c h ALA 24 Ca -0.27 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1n9c h ALA 24 Cb 1.09 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 1n9c h ALA 24 CO 1.21 -0.53 0.23 1.05 0.00 0.00 0.00 179.25 181.21 1n9c h GLU 25 N -0.06 0.74 -0.67 0.00 4.11 -1.90 -1.90 114.58 114.90 1n9c h GLU 25 Ca 0.31 -0.12 0.05 0.00 0.07 0.00 0.00 59.36 59.68 1n9c h GLU 25 Cb 0.55 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1n9c h GLU 25 CO -0.75 0.63 0.38 0.00 0.07 0.00 0.00 179.01 179.34 1n9c h ALA 26 N 1.07 0.90 0.01 1.06 0.00 -1.07 0.32 119.26 121.55 1n9c h ALA 26 Ca 0.17 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1n9c h ALA 26 Cb 0.15 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1n9c h ALA 26 CO -0.02 0.08 -0.48 0.28 0.00 0.00 0.00 179.25 179.11 1n9c h VAL 27 N 0.71 0.00 -0.62 0.00 2.07 -0.62 -0.33 116.25 117.46 1n9c h VAL 27 Ca 0.30 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.77 1n9c h VAL 27 Cb 0.16 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.90 1n9c h VAL 27 CO -0.17 0.00 0.22 0.58 0.02 0.00 0.00 177.57 178.22 1n9c h VAL 28 N -0.61 1.24 0.00 2.57 2.07 -0.21 0.44 116.25 121.75 1n9c h VAL 28 Ca 0.01 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1n9c h VAL 28 Cb 0.65 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1n9c h VAL 28 CO -0.32 0.30 0.00 0.00 0.02 0.00 0.00 177.57 177.58 1n9c n GLN 29 N -4.41 0.16 0.00 1.57 1.13 0.94 -1.19 117.38 115.58 1n9c n GLN 29 Ca 0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 1n9c n GLN 29 Cb 0.19 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.10 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 -0.94 3.57 -0.01 -1.09 7.27 0.00 -4.85 117.38 121.33 1n9c n GLN 30 Ca 0.03 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.14 1n9c n GLN 30 Cb 0.02 -0.63 -0.07 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 -0.51 0.36 0.00 3.69 4.76 0.13 -4.73 118.16 121.85 1n9c n LYS 31 Ca 0.00 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 1n9c n LYS 31 Cb 0.03 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1n9c n LYS 31 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n9c h ILE 33 N 0.00 0.47 -1.20 0.00 3.07 -1.48 0.76 117.51 119.12 1n9c h ILE 33 Ca 0.00 -0.05 0.43 0.00 1.55 0.00 0.00 64.86 66.79 1n9c h ILE 33 Cb 0.91 0.31 -0.14 0.00 -0.27 0.00 0.00 36.82 37.63 1n9c h ILE 33 CO 0.00 0.03 0.75 -1.20 -1.05 0.00 0.00 178.15 176.68 1n9c n SER 34 N -4.36 0.22 -0.01 2.16 7.64 -1.26 -0.21 113.62 117.80 1n9c n SER 34 Ca 0.25 1.33 -0.01 0.00 1.01 0.00 0.00 58.87 61.44 1n9c n SER 34 Cb 1.07 -0.65 -0.01 0.00 -1.01 0.00 0.00 64.21 63.62 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 -2.66 0.00 0.00 0.00 8.25 0.07 -0.15 115.22 120.72 1n9c n HIS 36 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1n9c n HIS 36 Cb 0.52 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.24 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 0.67 2.30 1.58 -1.41 0.00 0.71 -0.85 105.19 108.19 1n9c n GLY 37 Ca 0.08 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 -1.81 0.28 -0.02 0.00 -1.26 -4.61 105.19 97.77 1n9c n GLY 38 Ca 0.00 0.47 0.11 0.00 0.00 0.00 0.00 46.02 46.60 1n9c n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n9c n ASP 39 N -2.88 0.83 -1.39 1.61 9.92 -1.26 -4.87 116.55 118.52 1n9c n ASP 39 Ca 0.00 -1.52 -0.13 0.00 -0.53 0.00 0.00 54.79 52.61 1n9c n ASP 39 Cb 0.00 -0.04 -0.02 0.00 -0.64 0.00 0.00 41.12 40.42 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 -0.25 -1.47 0.08 0.64 7.99 -1.26 -4.50 117.00 118.23 1n9c n LEU 40 Ca 0.16 0.05 0.11 0.00 -0.01 0.00 0.00 56.01 56.33 1n9c n LEU 40 Cb 0.20 -2.01 0.45 0.00 -0.11 0.00 0.00 43.42 41.95 1n9c n LEU 40 CO 0.13 -0.24 0.85 0.35 -1.51 0.00 0.00 177.39 176.97 1n9c n THR 41 N -3.75 0.70 -0.42 -5.08 -2.24 -1.23 -0.46 114.28 101.80 1n9c n THR 41 Ca -0.15 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1n9c n THR 41 Cb 0.58 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 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 0.50 -0.70 0.03 3.38 0.00 -0.02 -3.96 105.19 104.42 1n9c n GLY 42 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.29 1.36 4.61 0.00 -1.03 -4.73 120.51 121.63 1n9c n ALA 43 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.51 1n9c n ALA 43 Cb 0.00 0.00 0.45 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.71 1.68 -3.90 0.00 7.64 0.78 -4.90 113.62 113.23 1n9c n SER 44 Ca 0.00 -1.60 -0.09 0.00 1.01 0.00 0.00 58.87 58.19 1n9c n SER 44 Cb 0.00 -0.04 -0.08 0.00 -1.01 0.00 0.00 64.21 63.09 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 -1.92 -0.10 0.98 -0.43 0.00 -1.19 -4.92 121.76 114.16 1n9c s ALA 45 Ca 0.36 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.49 1n9c s ALA 45 Cb 0.20 0.47 0.18 0.00 0.00 0.00 0.00 23.12 23.97 1n9c s ALA 45 CO 0.31 -0.49 1.09 -1.25 0.00 0.00 0.00 175.76 175.42 1n9c s PRO 46 N -3.87 0.56 0.08 0.00 0.04 -1.26 -4.24 135.00 126.30 1n9c s PRO 46 Ca 0.06 1.07 -0.31 0.00 0.04 0.00 0.00 61.00 61.86 1n9c s PRO 46 Cb 0.05 -1.71 -0.08 0.00 0.04 0.00 0.00 34.50 32.80 1n9c s PRO 46 CO -0.10 -2.79 1.64 0.00 0.04 0.00 0.00 177.00 175.78 1n9c s ALA 47 N -2.70 3.69 -0.03 8.56 0.00 -1.25 -4.23 121.76 125.80 1n9c s ALA 47 Ca 0.66 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.84 1n9c s ALA 47 Cb -0.22 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.22 1n9c s ALA 47 CO 0.60 -1.06 0.46 0.44 0.00 0.00 0.00 175.76 176.19 1n9c n ILE 48 N 4.64 0.00 -0.19 0.00 -6.64 0.39 -4.47 119.36 113.09 1n9c n ILE 48 Ca 0.16 -0.50 0.13 0.00 -1.77 0.00 0.00 62.75 60.76 1n9c n ILE 48 Cb 0.40 1.00 0.44 0.00 -1.44 0.00 0.00 39.64 40.05 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 0.05 0.51 -0.27 7.28 2.03 -1.23 -0.55 116.42 124.23 1n9c h ASP 49 Ca 0.00 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 1n9c h ASP 49 Cb 0.01 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.43 1n9c h ASP 49 CO 0.00 0.28 0.00 0.29 -1.03 0.00 0.00 179.24 178.78 1n9c n LYS 50 N -4.50 2.25 -0.16 4.15 4.01 -1.26 -4.46 118.16 118.20 1n9c n LYS 50 Ca 0.14 -1.88 -0.06 0.00 -0.51 0.00 0.00 58.31 56.00 1n9c n LYS 50 Cb 0.45 -1.48 -0.00 0.00 -0.51 0.00 0.00 35.03 33.50 1n9c n LYS 50 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1n9c h ALA 51 N 4.42 -0.07 -0.69 7.82 0.00 -1.31 -0.44 119.26 128.98 1n9c h ALA 51 Ca 0.00 0.14 0.20 0.00 0.00 0.00 0.00 54.91 55.25 1n9c h ALA 51 Cb 0.84 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1n9c h ALA 51 CO 0.00 -0.68 0.65 0.78 0.00 0.00 0.00 179.25 180.00 1n9c h GLY 52 N -0.20 0.00 1.66 0.00 0.00 -1.66 0.36 103.07 103.24 1n9c h GLY 52 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.31 1n9c h GLY 52 CO -0.60 0.00 -1.20 0.00 0.00 0.00 0.00 176.54 174.74 1n9c h ALA 53 N 1.35 0.50 0.00 3.60 0.00 -1.37 -3.40 119.26 119.95 1n9c h ALA 53 Ca 0.33 -1.06 -0.24 0.00 0.00 0.00 0.00 54.91 53.94 1n9c h ALA 53 Cb 1.63 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 1n9c h ALA 53 CO -0.00 1.31 -1.44 0.09 0.00 0.00 0.00 179.25 179.21 1n9c n ASN 54 N -3.24 1.88 -4.54 0.00 3.02 0.42 -4.98 115.26 107.83 1n9c n ASN 54 Ca -0.05 0.43 -0.31 0.00 -0.03 0.00 0.00 54.58 54.62 1n9c n ASN 54 Cb 0.96 -0.91 -0.11 0.00 -0.61 0.00 0.00 39.78 39.11 1n9c n ASN 54 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1n9c s TYR 55 N -2.41 2.72 0.57 3.10 2.02 0.97 -5.11 117.35 119.21 1n9c s TYR 55 Ca -0.29 -0.15 -0.05 0.00 -0.37 0.00 0.00 57.07 56.20 1n9c s TYR 55 Cb 0.07 -1.50 0.00 0.00 -0.40 0.00 0.00 41.96 40.13 1n9c s TYR 55 CO 0.51 0.34 0.87 -1.12 -1.57 0.00 0.00 175.55 174.58 1n9c s SER 56 N -1.64 5.69 0.24 2.29 0.01 -1.26 -3.84 113.70 115.18 1n9c s SER 56 Ca 0.17 0.71 -0.06 0.00 1.31 0.00 0.00 55.95 58.09 1n9c s SER 56 Cb -0.11 -1.76 0.42 0.00 0.21 0.00 0.00 66.02 64.78 1n9c s SER 56 CO 0.08 -0.98 1.71 1.05 0.41 0.00 0.00 173.24 175.51 1n9c h GLU 57 N -0.09 0.32 -0.53 12.44 -0.00 -1.90 -0.07 114.58 124.75 1n9c h GLU 57 Ca -0.46 -0.02 0.10 0.00 -0.00 0.00 0.00 59.36 58.99 1n9c h GLU 57 Cb 1.25 -0.07 -0.11 0.00 -0.00 0.00 0.00 28.75 29.82 1n9c h GLU 57 CO 0.60 0.21 -0.29 1.05 -0.00 0.00 0.00 179.01 180.58 1n9c h GLU 58 N 0.33 -0.15 -0.11 1.06 4.11 -1.93 0.27 114.58 118.15 1n9c h GLU 58 Ca 0.39 0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.82 1n9c h GLU 58 Cb 0.62 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1n9c h GLU 58 CO -0.44 -0.10 0.04 0.93 0.07 0.00 0.00 179.01 179.51 1n9c h GLU 59 N -0.16 0.17 -0.27 1.06 5.08 -1.42 -0.34 114.58 118.71 1n9c h GLU 59 Ca 0.23 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1n9c h GLU 59 Cb 0.53 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1n9c h GLU 59 CO -0.62 0.28 0.11 0.82 -1.00 0.00 0.00 179.01 178.60 1n9c h ILE 60 N 0.02 1.17 -0.24 3.13 2.04 -0.82 0.32 117.51 123.12 1n9c h ILE 60 Ca 0.04 -0.51 0.06 0.00 1.00 0.00 0.00 64.86 65.45 1n9c h ILE 60 Cb 0.18 1.01 -0.08 0.00 -0.74 0.00 0.00 36.82 37.19 1n9c h ILE 60 CO -0.00 0.17 -0.35 0.25 0.00 0.00 0.00 178.15 178.22 1n9c h LEU 61 N 0.28 -1.11 -0.42 1.44 5.85 -0.36 0.23 115.31 121.24 1n9c h LEU 61 Ca 0.09 0.17 0.07 0.00 0.84 0.00 0.00 57.88 59.05 1n9c h LEU 61 Cb 0.17 0.48 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 1n9c h LEU 61 CO -0.01 -0.36 0.09 0.44 -0.34 0.00 0.00 178.44 178.26 1n9c h ASP 62 N -0.36 0.01 -0.61 1.25 3.32 -0.68 -0.84 116.42 118.51 1n9c h ASP 62 Ca 0.12 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1n9c h ASP 62 Cb 0.56 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1n9c h ASP 62 CO -0.44 0.04 0.31 0.40 -1.72 0.00 0.00 179.24 177.83 1n9c h ILE 63 N 0.22 1.21 -0.34 0.35 2.04 0.44 0.37 117.51 121.79 1n9c h ILE 63 Ca 0.20 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 1n9c h ILE 63 Cb 0.25 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1n9c h ILE 63 CO -0.26 0.24 0.04 0.40 0.00 0.00 0.00 178.15 178.57 1n9c h ILE 64 N 0.90 1.24 -0.39 -0.67 2.04 0.21 0.42 117.51 121.26 1n9c h ILE 64 Ca 0.22 -0.87 -0.12 0.00 1.00 0.00 0.00 64.86 65.09 1n9c h ILE 64 Cb 0.09 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1n9c h ILE 64 CO -0.03 0.29 -0.24 -0.07 0.00 0.00 0.00 178.15 178.10 1n9c h LEU 65 N 0.40 0.88 0.08 1.44 3.38 -0.54 -2.39 115.31 118.57 1n9c h LEU 65 Ca 0.10 -0.42 -0.35 0.00 0.09 0.00 0.00 57.88 57.30 1n9c h LEU 65 Cb 0.38 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1n9c h LEU 65 CO 0.01 1.11 -1.98 0.59 0.09 0.00 0.00 178.44 178.27 1n9c n ASN 66 N -4.20 1.75 0.00 -0.43 3.02 0.13 -0.76 115.26 114.76 1n9c n ASN 66 Ca -0.02 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1n9c n ASN 66 Cb 0.45 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 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 1.90 -1.56 3.33 7.41 0.00 0.15 -3.85 105.19 112.58 1n9c n GLY 67 Ca -0.29 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.56 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 0.00 1.10 0.03 1.61 2.00 -1.00 -4.52 119.66 118.88 1n9c s GLN 68 Ca 0.00 -1.00 -0.06 0.00 -2.00 0.00 0.00 55.36 52.30 1n9c s GLN 68 Cb 0.00 0.41 -0.01 0.00 0.80 0.00 0.00 33.01 34.20 1n9c s GLN 68 CO 0.00 -0.41 0.67 0.41 -0.50 0.00 0.00 175.29 175.46 1n9c n GLY 69 N -0.20 -1.68 1.98 2.59 0.00 -1.26 -0.15 105.19 106.48 1n9c n GLY 69 Ca -0.11 0.45 -0.20 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.05 4.18 2.77 -0.02 0.00 -1.26 -4.90 105.19 104.91 1n9c n GLY 70 Ca 0.00 -1.05 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.61 0.05 0.73 1.61 0.00 0.78 -5.09 119.30 114.77 1n9c s MET 71 Ca 0.45 0.18 -0.14 0.00 0.00 0.00 0.00 55.69 56.18 1n9c s MET 71 Cb 0.37 -0.34 0.04 0.00 0.00 0.00 0.00 34.83 34.90 1n9c s MET 71 CO 0.06 -0.18 1.16 -1.25 0.00 0.00 0.00 175.02 174.81 1n9c s PRO 72 N 1.19 2.25 -0.06 4.11 0.04 -1.26 -2.38 135.00 138.90 1n9c s PRO 72 Ca -0.08 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.51 1n9c s PRO 72 Cb -0.13 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1n9c s PRO 72 CO -0.03 -1.71 0.09 0.20 0.04 0.00 0.00 177.00 175.59 1n9c s GLY 73 N -2.38 2.04 -0.07 0.56 0.00 -1.25 -4.01 107.32 102.21 1n9c s GLY 73 Ca 0.70 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.64 1n9c s GLY 73 CO 0.46 -0.59 0.00 0.61 0.00 0.00 0.00 173.10 173.58 1n9c n GLY 74 N 1.61 0.39 0.27 0.20 0.00 0.06 -4.85 105.19 102.87 1n9c n GLY 74 Ca -0.16 -0.96 0.05 0.00 0.00 0.00 0.00 46.02 44.94 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 0.68 -3.97 -0.61 2.04 -1.78 -3.41 117.51 110.45 1n9c h ILE 75 Ca -0.02 -0.16 -0.36 0.00 1.00 0.00 0.00 64.86 65.33 1n9c h ILE 75 Cb 0.52 0.18 -0.28 0.00 -0.74 0.00 0.00 36.82 36.50 1n9c h ILE 75 CO 0.02 0.08 -0.77 0.00 0.00 0.00 0.00 178.15 177.49 1n9c s ALA 76 N -6.03 0.60 0.03 1.87 0.00 -1.26 -5.07 121.76 111.91 1n9c s ALA 76 Ca -0.12 -0.32 -0.10 0.00 0.00 0.00 0.00 51.96 51.41 1n9c s ALA 76 Cb 0.20 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.18 1n9c s ALA 76 CO 0.76 0.14 0.22 -1.59 0.00 0.00 0.00 175.76 175.29 1n9c s LYS 77 N -0.20 0.68 7.14 0.00 -2.85 -1.26 -4.19 119.74 119.07 1n9c s LYS 77 Ca 0.03 -0.54 0.00 0.00 -1.00 0.00 0.00 55.97 54.46 1n9c s LYS 77 Cb -0.03 0.29 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 1n9c s LYS 77 CO -0.00 -0.20 0.00 0.41 0.10 0.00 0.00 175.35 175.66 1n9c n GLY 78 N 0.82 3.37 0.30 0.59 0.00 -1.26 -3.00 105.19 106.01 1n9c n GLY 78 Ca -0.20 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.99 0.95 0.22 4.61 0.00 -1.98 0.83 119.26 122.90 1n9c h ALA 79 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1n9c h ALA 79 Cb 0.00 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1n9c h ALA 79 CO 0.00 -0.46 -0.45 0.93 0.00 0.00 0.00 179.25 179.27 1n9c h GLU 80 N 0.10 -0.71 -0.51 0.00 3.07 -1.89 0.18 114.58 114.83 1n9c h GLU 80 Ca 0.48 0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.38 1n9c h GLU 80 Cb 0.90 0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.94 1n9c h GLU 80 CO -0.72 -0.47 0.28 0.00 -1.40 0.00 0.00 179.01 176.70 1n9c h ALA 81 N -0.80 0.65 0.38 3.43 0.00 -1.07 0.96 119.26 122.82 1n9c h ALA 81 Ca -0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1n9c h ALA 81 Cb 0.69 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1n9c h ALA 81 CO -0.18 0.17 -0.47 0.93 0.00 0.00 0.00 179.25 179.70 1n9c h GLU 82 N 0.68 -0.85 -0.10 0.00 5.08 -0.87 0.94 114.58 119.45 1n9c h GLU 82 Ca 0.18 0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.64 1n9c h GLU 82 Cb 0.05 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 1n9c h GLU 82 CO -0.03 -0.57 -0.24 0.00 -1.00 0.00 0.00 179.01 177.17 1n9c h ALA 83 N -0.63 -0.24 0.04 3.43 0.00 -0.36 -0.17 119.26 121.34 1n9c h ALA 83 Ca -0.04 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1n9c h ALA 83 Cb 0.80 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1n9c h ALA 83 CO -0.11 -0.71 -0.44 0.28 0.00 0.00 0.00 179.25 178.27 1n9c h VAL 84 N -0.32 0.00 -0.28 0.00 2.07 -0.71 0.29 116.25 117.29 1n9c h VAL 84 Ca 0.09 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.68 1n9c h VAL 84 Cb 0.46 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.16 1n9c h VAL 84 CO -0.29 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 177.14 1n9c h ALA 85 N -0.67 0.04 0.17 1.67 0.00 -0.26 0.46 119.26 120.66 1n9c h ALA 85 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1n9c h ALA 85 Cb 0.60 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1n9c h ALA 85 CO -0.27 -0.57 -0.16 0.00 0.00 0.00 0.00 179.25 178.25 1n9c h ALA 86 N 1.05 -0.33 -0.18 0.00 0.00 -0.96 0.16 119.26 119.00 1n9c h ALA 86 Ca 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1n9c h ALA 86 Cb 0.37 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1n9c h ALA 86 CO -0.37 -0.71 0.02 2.35 0.00 0.00 0.00 179.25 180.55 1n9c h TRP 87 N -0.36 0.24 -0.01 0.00 7.01 -0.23 0.31 115.95 122.92 1n9c h TRP 87 Ca 0.00 -0.01 -0.17 0.00 2.11 0.00 0.00 58.89 60.83 1n9c h TRP 87 Cb 0.34 -0.08 0.01 0.00 -2.10 0.00 0.00 29.16 27.33 1n9c h TRP 87 CO -0.14 0.25 -0.65 1.25 -2.79 0.00 0.00 178.44 176.36 1n9c h LEU 88 N 0.25 0.58 -1.23 0.65 5.85 0.24 -3.03 115.31 118.61 1n9c h LEU 88 Ca 0.06 -0.75 0.16 0.00 0.84 0.00 0.00 57.88 58.19 1n9c h LEU 88 Cb 0.14 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 40.92 1n9c h LEU 88 CO 0.00 1.25 0.59 0.00 -0.34 0.00 0.00 178.44 179.95 1n9c h ALA 89 N 0.34 1.83 0.00 1.25 0.00 -0.16 -0.35 119.26 122.17 1n9c h ALA 89 Ca -0.08 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1n9c h ALA 89 Cb 1.35 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1n9c h ALA 89 CO 0.13 -0.10 0.00 -0.85 0.00 0.00 0.00 179.25 178.43 1n9c n GLU 90 N -4.60 0.15 0.00 0.00 -0.00 0.05 -4.19 120.64 112.05 1n9c n GLU 90 Ca 0.19 0.01 0.05 0.00 -0.00 0.00 0.00 57.16 57.41 1n9c n GLU 90 Cb 0.52 -1.50 0.30 0.00 -0.00 0.00 0.00 31.44 30.75 1n9c n GLU 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1n9c n LYS 91 N -1.43 0.66 0.00 3.44 3.00 -0.14 -5.09 118.16 118.60 1n9c n LYS 91 Ca 0.09 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.47 1n9c n LYS 91 Cb 0.30 -1.24 0.06 0.00 0.00 0.00 0.00 35.03 34.15 1n9c n LYS 91 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76