#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 6.31 0.13 4.52 1.11 -1.26 -4.85 116.67 122.63 1n9c s ASP 23 Ca 0.00 0.84 -0.24 0.00 0.18 0.00 0.00 52.55 53.33 1n9c s ASP 23 Cb 0.00 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 1n9c s ASP 23 CO 0.00 -1.45 1.65 0.00 1.18 0.00 0.00 175.17 176.55 1n9c h ALA 24 N 10.82 -0.22 -0.87 5.23 0.00 -1.93 0.65 119.26 132.93 1n9c h ALA 24 Ca -0.28 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1n9c h ALA 24 Cb 1.11 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1n9c h ALA 24 CO 1.09 -0.69 0.45 1.05 0.00 0.00 0.00 179.25 181.15 1n9c h GLU 25 N -0.30 1.23 -0.83 0.00 4.11 -1.91 -2.73 114.58 114.15 1n9c h GLU 25 Ca 0.08 -0.16 0.02 0.00 0.07 0.00 0.00 59.36 59.36 1n9c h GLU 25 Cb 0.41 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1n9c h GLU 25 CO -0.23 0.92 0.55 0.00 0.07 0.00 0.00 179.01 180.32 1n9c h ALA 26 N 1.25 1.07 -0.09 1.06 0.00 -1.33 0.30 119.26 121.51 1n9c h ALA 26 Ca 0.30 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1n9c h ALA 26 Cb 0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1n9c h ALA 26 CO -0.04 0.43 -0.27 0.28 0.00 0.00 0.00 179.25 179.65 1n9c h VAL 27 N 1.10 0.00 -0.62 0.00 2.07 -0.96 -2.42 116.25 115.42 1n9c h VAL 27 Ca 0.31 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.77 1n9c h VAL 27 Cb -0.09 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.66 1n9c h VAL 27 CO -0.08 0.00 0.15 0.58 0.02 0.00 0.00 177.57 178.24 1n9c h VAL 28 N -0.27 1.25 0.00 2.57 2.07 -0.66 0.42 116.25 121.64 1n9c h VAL 28 Ca 0.02 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1n9c h VAL 28 Cb 0.33 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1n9c h VAL 28 CO -0.23 0.35 0.00 0.00 0.02 0.00 0.00 177.57 177.71 1n9c n GLN 29 N -4.33 0.10 0.00 1.57 1.13 0.86 -1.07 117.38 115.64 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 0.25 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.13 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 -0.97 1.77 -0.01 -1.09 7.27 0.28 -4.88 117.38 119.75 1n9c n GLN 30 Ca 0.02 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.16 1n9c n GLN 30 Cb 0.01 -0.84 -0.10 0.00 2.41 0.00 0.00 30.24 31.72 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 -1.73 0.48 0.00 3.69 5.02 0.12 -4.63 118.16 121.11 1n9c n LYS 31 Ca 0.00 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1n9c n LYS 31 Cb 0.34 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 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 0.41 -0.84 0.00 3.07 -1.49 0.08 117.51 118.75 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 0.83 0.48 -0.15 0.00 -0.27 0.00 0.00 36.82 37.71 1n9c h ILE 33 CO 0.00 0.00 0.21 -1.20 -1.05 0.00 0.00 178.15 176.11 1n9c n SER 34 N -4.01 0.07 -0.01 2.16 7.64 -1.26 -0.08 113.62 118.13 1n9c n SER 34 Ca 0.18 1.41 -0.01 0.00 1.01 0.00 0.00 58.87 61.46 1n9c n SER 34 Cb 1.02 -0.59 -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 -2.45 0.00 0.00 0.00 8.25 -0.18 -0.16 115.22 120.68 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 0.55 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 1.14 -2.39 0.41 -1.41 0.00 0.89 -0.06 105.19 103.77 1n9c n GLY 37 Ca 0.07 -1.38 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.98 1.32 -0.02 0.00 -1.96 0.16 103.07 101.60 1n9c h GLY 38 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 47.33 48.12 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 -5.16 0.00 -0.87 0.19 9.92 -1.26 -4.87 116.55 114.49 1n9c n ASP 39 Ca 0.00 -0.43 -0.09 0.00 -0.53 0.00 0.00 54.79 53.74 1n9c n ASP 39 Cb 0.27 -0.16 -0.02 0.00 -0.64 0.00 0.00 41.12 40.56 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 -1.16 -1.01 0.00 0.64 4.77 0.57 -4.59 117.00 116.22 1n9c n LEU 40 Ca 0.16 0.13 0.14 0.00 -0.03 0.00 0.00 56.01 56.41 1n9c n LEU 40 Cb 0.16 -1.58 0.73 0.00 -2.33 0.00 0.00 43.42 40.40 1n9c n LEU 40 CO 0.18 -0.32 1.00 0.35 -1.33 0.00 0.00 177.39 177.28 1n9c n THR 41 N -3.29 0.03 -0.28 -5.08 -2.24 -1.16 -0.45 114.28 101.82 1n9c n THR 41 Ca -0.10 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1n9c n THR 41 Cb 0.43 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 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 1.24 -0.34 0.44 3.38 0.00 0.92 -3.78 105.19 107.05 1n9c n GLY 42 Ca 0.13 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 2.04 1.75 0.81 4.61 0.00 -1.00 -4.76 120.51 123.96 1n9c n ALA 43 Ca 0.00 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1n9c n ALA 43 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 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 -2.07 2.95 -4.05 0.00 7.64 0.78 -4.93 113.62 113.93 1n9c n SER 44 Ca 0.00 -1.93 -0.08 0.00 1.01 0.00 0.00 58.87 57.87 1n9c n SER 44 Cb 0.00 -0.10 -0.09 0.00 -1.01 0.00 0.00 64.21 63.01 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 -1.80 0.39 0.96 -0.43 0.00 -0.95 -4.94 121.76 115.00 1n9c s ALA 45 Ca 0.33 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 51.06 1n9c s ALA 45 Cb 0.21 0.37 0.17 0.00 0.00 0.00 0.00 23.12 23.87 1n9c s ALA 45 CO 0.31 -0.41 1.09 -1.25 0.00 0.00 0.00 175.76 175.49 1n9c s PRO 46 N -3.92 0.71 0.07 0.00 0.04 -1.26 -4.23 135.00 126.40 1n9c s PRO 46 Ca 0.08 0.95 -0.30 0.00 0.04 0.00 0.00 61.00 61.77 1n9c s PRO 46 Cb 0.07 -1.73 -0.09 0.00 0.04 0.00 0.00 34.50 32.79 1n9c s PRO 46 CO -0.09 -2.66 1.87 0.00 0.04 0.00 0.00 177.00 176.17 1n9c s ALA 47 N -2.78 3.67 -0.48 8.56 0.00 -1.25 -4.08 121.76 125.40 1n9c s ALA 47 Ca 0.65 1.35 0.04 0.00 0.00 0.00 0.00 51.96 54.00 1n9c s ALA 47 Cb -0.20 -3.80 0.05 0.00 0.00 0.00 0.00 23.12 19.17 1n9c s ALA 47 CO 0.59 -1.39 0.72 0.44 0.00 0.00 0.00 175.76 176.12 1n9c n ILE 48 N 5.16 0.19 -0.31 0.00 -6.64 0.34 -4.68 119.36 113.42 1n9c n ILE 48 Ca 0.19 -0.60 0.07 0.00 -1.77 0.00 0.00 62.75 60.64 1n9c n ILE 48 Cb 0.40 0.97 0.17 0.00 -1.44 0.00 0.00 39.64 39.74 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 0.80 -0.67 -0.19 7.28 2.03 -1.01 0.13 116.42 124.78 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 0.25 0.51 0.00 0.00 -0.83 0.00 0.00 39.33 39.26 1n9c h ASP 49 CO 0.00 -0.29 0.00 0.29 -1.03 0.00 0.00 179.24 178.21 1n9c n LYS 50 N -5.52 1.78 -0.26 4.15 4.01 -1.26 -4.50 118.16 116.57 1n9c n LYS 50 Ca 0.16 -1.18 0.06 0.00 -0.51 0.00 0.00 58.31 56.84 1n9c n LYS 50 Cb 0.53 -1.39 0.19 0.00 -0.51 0.00 0.00 35.03 33.85 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 4.04 1.04 -0.81 7.82 0.00 -1.02 0.32 119.26 130.67 1n9c h ALA 51 Ca 0.00 0.14 0.19 0.00 0.00 0.00 0.00 54.91 55.24 1n9c h ALA 51 Cb 0.51 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1n9c h ALA 51 CO 0.00 -0.28 0.55 0.78 0.00 0.00 0.00 179.25 180.30 1n9c h GLY 52 N 0.36 0.60 1.49 0.00 0.00 -1.68 0.43 103.07 104.28 1n9c h GLY 52 Ca 0.43 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.49 1n9c h GLY 52 CO -0.46 0.02 -0.34 0.00 0.00 0.00 0.00 176.54 175.76 1n9c h ALA 53 N 1.63 0.91 0.06 3.60 0.00 -0.64 -3.33 119.26 121.49 1n9c h ALA 53 Ca 0.40 -0.41 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 1n9c h ALA 53 Cb 1.10 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1n9c h ALA 53 CO -0.12 0.62 -1.81 -0.91 0.00 0.00 0.00 179.25 177.04 1n9c h ASN 54 N 0.48 0.19 -4.07 0.00 2.35 -0.37 -3.48 115.58 110.69 1n9c h ASN 54 Ca 0.05 -0.42 -0.25 0.00 -0.55 0.00 0.00 56.30 55.13 1n9c h ASN 54 Cb 0.82 -0.06 -0.26 0.00 0.05 0.00 0.00 38.32 38.87 1n9c h ASN 54 CO 0.07 1.38 -0.73 -0.31 -1.65 0.00 0.00 177.43 176.19 1n9c s TYR 55 N -2.58 0.22 0.71 1.19 2.02 0.13 -5.09 117.35 113.94 1n9c s TYR 55 Ca -0.12 -0.15 -0.11 0.00 -0.37 0.00 0.00 57.07 56.32 1n9c s TYR 55 Cb 0.07 -0.14 0.02 0.00 -0.40 0.00 0.00 41.96 41.52 1n9c s TYR 55 CO 0.80 -0.04 1.09 -1.54 -1.57 0.00 0.00 175.55 174.30 1n9c s SER 56 N -0.40 5.33 0.20 2.29 1.04 -1.26 -4.02 113.70 116.87 1n9c s SER 56 Ca -0.03 1.05 -0.14 0.00 0.48 0.00 0.00 55.95 57.31 1n9c s SER 56 Cb -0.03 -1.82 0.20 0.00 0.10 0.00 0.00 66.02 64.47 1n9c s SER 56 CO -0.00 -1.40 1.65 1.05 0.98 0.00 0.00 173.24 175.52 1n9c h GLU 57 N -0.67 0.03 -0.55 4.02 9.09 -1.90 -0.66 114.58 123.93 1n9c h GLU 57 Ca -0.45 -0.00 0.11 0.00 0.05 0.00 0.00 59.36 59.06 1n9c h GLU 57 Cb 1.26 -0.01 -0.11 0.00 -1.65 0.00 0.00 28.75 28.25 1n9c h GLU 57 CO 0.64 0.02 -0.26 1.05 0.05 0.00 0.00 179.01 180.50 1n9c h GLU 58 N 0.03 -0.12 -0.09 1.06 4.11 -1.93 0.26 114.58 117.90 1n9c h GLU 58 Ca 0.27 0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.71 1n9c h GLU 58 Cb 0.42 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1n9c h GLU 58 CO -0.54 -0.08 0.04 0.93 0.07 0.00 0.00 179.01 179.43 1n9c h GLU 59 N -0.13 0.12 -0.19 1.06 5.08 -1.57 -0.32 114.58 118.63 1n9c h GLU 59 Ca 0.24 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1n9c h GLU 59 Cb 0.51 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1n9c h GLU 59 CO -0.63 0.18 0.11 0.82 -1.00 0.00 0.00 179.01 178.50 1n9c h ILE 60 N 0.03 1.08 -0.20 3.13 2.04 -0.71 0.30 117.51 123.18 1n9c h ILE 60 Ca 0.03 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.74 1n9c h ILE 60 Cb 0.10 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 1n9c h ILE 60 CO -0.00 0.08 -0.35 0.25 0.00 0.00 0.00 178.15 178.13 1n9c h LEU 61 N 0.23 -1.09 -0.28 1.44 5.85 -0.38 0.10 115.31 121.19 1n9c h LEU 61 Ca 0.07 0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.98 1n9c h LEU 61 Cb 0.03 0.47 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1n9c h LEU 61 CO -0.01 -0.36 0.10 -0.78 -0.34 0.00 0.00 178.44 177.04 1n9c h ASP 62 N -0.38 0.11 -0.69 1.25 3.58 -0.65 -0.32 116.42 119.31 1n9c h ASP 62 Ca 0.11 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.63 1n9c h ASP 62 Cb 0.56 0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.58 1n9c h ASP 62 CO -0.41 0.10 0.42 0.40 -2.88 0.00 0.00 179.24 176.86 1n9c h ILE 63 N 0.22 1.05 0.04 2.25 2.04 -0.20 0.34 117.51 123.26 1n9c h ILE 63 Ca 0.12 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1n9c h ILE 63 Cb 0.09 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1n9c h ILE 63 CO -0.12 0.15 -0.02 0.40 0.00 0.00 0.00 178.15 178.55 1n9c h ILE 64 N 0.81 1.01 0.00 -0.67 2.04 -0.32 0.47 117.51 120.84 1n9c h ILE 64 Ca 0.29 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.94 1n9c h ILE 64 Cb 0.08 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1n9c h ILE 64 CO -0.13 0.04 -0.26 -0.07 0.00 0.00 0.00 178.15 177.72 1n9c h LEU 65 N -0.12 0.00 0.00 1.44 3.38 -0.05 0.19 115.31 120.15 1n9c h LEU 65 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1n9c h LEU 65 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1n9c h LEU 65 CO 0.01 0.26 -0.75 0.59 0.09 0.00 0.00 178.44 178.64 1n9c n ASN 66 N -4.03 1.63 0.00 -0.43 3.02 0.11 -3.18 115.26 112.37 1n9c n ASN 66 Ca -0.02 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1n9c n ASN 66 Cb 0.33 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 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 1.82 0.97 3.40 7.41 0.00 0.16 -4.20 105.19 114.75 1n9c n GLY 67 Ca -0.10 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.33 1.22 0.00 1.61 2.00 -1.17 -4.54 119.66 117.44 1n9c s GLN 68 Ca 0.00 -0.97 0.00 0.00 -2.00 0.00 0.00 55.36 52.39 1n9c s GLN 68 Cb 0.00 0.45 0.00 0.00 0.80 0.00 0.00 33.01 34.26 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 -0.26 0.00 2.27 2.59 0.00 -1.26 -0.11 105.19 108.43 1n9c n GLY 69 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 5.40 3.20 -0.02 0.00 -1.26 -4.90 105.19 107.61 1n9c n GLY 70 Ca 0.00 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 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 -3.57 3.11 0.27 1.61 0.00 0.85 -5.04 119.30 116.52 1n9c s MET 71 Ca 0.61 -0.79 -0.04 0.00 0.00 0.00 0.00 55.69 55.47 1n9c s MET 71 Cb 0.49 -2.61 0.34 0.00 0.00 0.00 0.00 34.83 33.04 1n9c s MET 71 CO 0.02 -0.09 1.87 -1.00 0.00 0.00 0.00 175.02 175.82 1n9c h PRO 72 N 7.62 1.07 0.00 4.11 0.13 -1.91 -3.10 132.00 139.93 1n9c h PRO 72 Ca -0.38 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1n9c h PRO 72 Cb 1.17 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1n9c h PRO 72 CO 0.59 0.81 0.00 0.41 -0.23 0.00 0.00 178.00 179.59 1n9c n GLY 73 N -1.11 -2.27 2.49 1.56 0.00 -1.26 -4.62 105.19 99.98 1n9c n GLY 73 Ca 0.07 -1.48 -0.18 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.08 1.29 0.25 -0.02 0.00 0.67 -4.85 105.19 100.45 1n9c n GLY 74 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.86 -0.61 2.04 -1.89 -3.42 117.51 110.96 1n9c h ILE 75 Ca -0.39 -0.81 -0.23 0.00 1.00 0.00 0.00 64.86 64.43 1n9c h ILE 75 Cb 1.21 1.14 -0.25 0.00 -0.74 0.00 0.00 36.82 38.18 1n9c h ILE 75 CO 0.54 0.26 -0.72 0.00 0.00 0.00 0.00 178.15 178.23 1n9c s ALA 76 N -4.79 0.17 0.06 1.87 0.00 -1.26 -5.10 121.76 112.71 1n9c s ALA 76 Ca -0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 51.96 51.59 1n9c s ALA 76 Cb 0.15 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1n9c s ALA 76 CO 0.75 -0.04 -0.04 0.15 0.00 0.00 0.00 175.76 176.58 1n9c s LYS 77 N -0.66 0.63 4.70 0.00 1.02 -1.26 -4.35 119.74 119.82 1n9c s LYS 77 Ca -0.06 -1.15 0.00 0.00 0.02 0.00 0.00 55.97 54.78 1n9c s LYS 77 Cb -0.05 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.34 1n9c s LYS 77 CO -0.00 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 1n9c n GLY 78 N 0.31 2.78 0.40 -3.33 0.00 -1.26 -2.29 105.19 101.80 1n9c n GLY 78 Ca -0.15 -0.24 0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.70 2.33 0.57 4.61 0.00 -1.98 0.26 119.26 124.35 1n9c h ALA 79 Ca 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1n9c h ALA 79 Cb 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1n9c h ALA 79 CO 0.00 -0.93 -0.32 1.49 0.00 0.00 0.00 179.25 179.49 1n9c h GLU 80 N 0.22 -0.80 -0.56 0.00 4.81 -1.80 0.12 114.58 116.58 1n9c h GLU 80 Ca 0.75 0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.93 1n9c h GLU 80 Cb 2.04 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 31.58 1n9c h GLU 80 CO -0.49 -0.53 -0.06 0.00 -0.73 0.00 0.00 179.01 177.20 1n9c h ALA 81 N -0.43 0.76 -0.06 2.92 0.00 -0.62 -0.52 119.26 121.30 1n9c h ALA 81 Ca -0.07 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.54 1n9c h ALA 81 Cb 0.66 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1n9c h ALA 81 CO 0.09 0.64 -0.21 0.93 0.00 0.00 0.00 179.25 180.70 1n9c h GLU 82 N 0.91 -0.29 -0.03 0.00 5.08 -0.97 0.12 114.58 119.40 1n9c h GLU 82 Ca 0.15 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1n9c h GLU 82 Cb 0.63 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 1n9c h GLU 82 CO 0.04 -0.19 -0.26 0.00 -1.00 0.00 0.00 179.01 177.59 1n9c h ALA 83 N 0.63 -0.34 -0.02 3.43 0.00 -0.49 -0.59 119.26 121.89 1n9c h ALA 83 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1n9c h ALA 83 Cb 0.41 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 1n9c h ALA 83 CO -0.24 -0.76 -0.46 0.28 0.00 0.00 0.00 179.25 178.08 1n9c h VAL 84 N -0.39 0.10 -0.02 0.00 2.07 -0.75 -0.69 116.25 116.56 1n9c h VAL 84 Ca 0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1n9c h VAL 84 Cb 0.49 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 1n9c h VAL 84 CO -0.25 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 177.08 1n9c h ALA 85 N -0.15 -0.34 0.02 1.67 0.00 -0.32 0.27 119.26 120.41 1n9c h ALA 85 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1n9c h ALA 85 Cb 0.68 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1n9c h ALA 85 CO -0.34 -0.76 -0.20 0.00 0.00 0.00 0.00 179.25 177.95 1n9c h ALA 86 N 0.44 -0.27 -0.29 0.00 0.00 -1.01 0.76 119.26 118.89 1n9c h ALA 86 Ca 0.07 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1n9c h ALA 86 Cb 0.49 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1n9c h ALA 86 CO -0.25 -0.70 0.13 2.35 0.00 0.00 0.00 179.25 180.78 1n9c h TRP 87 N -0.34 0.25 0.00 0.00 7.01 -0.71 0.30 115.95 122.46 1n9c h TRP 87 Ca 0.05 0.01 -0.16 0.00 2.11 0.00 0.00 58.89 60.91 1n9c h TRP 87 Cb 0.40 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.37 1n9c h TRP 87 CO -0.24 0.13 -0.74 1.25 -2.79 0.00 0.00 178.44 176.05 1n9c h LEU 88 N 0.28 0.00 0.23 0.65 7.12 -0.23 0.14 115.31 123.51 1n9c h LEU 88 Ca 0.12 0.00 0.01 0.00 0.13 0.00 0.00 57.88 58.14 1n9c h LEU 88 Cb 0.06 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.15 1n9c h LEU 88 CO -0.10 0.74 -0.34 0.00 -0.13 0.00 0.00 178.44 178.61 1n9c h ALA 89 N 1.26 -0.67 0.00 1.25 0.00 -0.70 -2.95 119.26 117.46 1n9c h ALA 89 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1n9c h ALA 89 Cb 1.33 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1n9c h ALA 89 CO 0.10 -0.92 0.00 -0.85 0.00 0.00 0.00 179.25 177.57 1n9c n GLU 90 N -5.44 0.08 0.16 0.00 0.28 0.08 -2.49 120.64 113.31 1n9c n GLU 90 Ca -0.08 0.20 0.02 0.00 -0.16 0.00 0.00 57.16 57.14 1n9c n GLU 90 Cb 0.35 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 31.93 1n9c n GLU 90 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1n9c h LYS 91 N 0.00 0.00 0.00 3.44 3.11 -0.61 -3.50 116.57 119.01 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 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 1n9c h LYS 91 CO 0.00 0.51 0.00 0.36 -2.81 0.00 0.00 179.45 177.51