#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 5.72 0.21 4.52 1.11 -1.26 -4.86 116.67 122.11 1n9c s ASP 23 Ca 0.00 -0.04 -0.17 0.00 0.18 0.00 0.00 52.55 52.52 1n9c s ASP 23 Cb 0.00 -2.54 0.21 0.00 1.07 0.00 0.00 42.92 41.66 1n9c s ASP 23 CO 0.00 -2.10 1.59 0.00 1.18 0.00 0.00 175.17 175.84 1n9c h ALA 24 N 12.48 0.18 -0.79 5.23 0.00 -1.93 0.24 119.26 134.67 1n9c h ALA 24 Ca -0.27 0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1n9c h ALA 24 Cb 1.11 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 1n9c h ALA 24 CO 1.25 -0.57 0.31 1.05 0.00 0.00 0.00 179.25 181.28 1n9c h GLU 25 N -0.08 1.18 -0.70 0.00 4.11 -1.92 -2.03 114.58 115.15 1n9c h GLU 25 Ca 0.30 -0.22 0.08 0.00 0.07 0.00 0.00 59.36 59.59 1n9c h GLU 25 Cb 0.56 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 1n9c h GLU 25 CO -0.77 0.96 0.37 0.00 0.07 0.00 0.00 179.01 179.63 1n9c h ALA 26 N 1.18 0.95 0.24 1.06 0.00 -0.95 0.86 119.26 122.60 1n9c h ALA 26 Ca 0.26 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1n9c h ALA 26 Cb 0.22 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1n9c h ALA 26 CO -0.02 0.00 -0.53 0.28 0.00 0.00 0.00 179.25 178.99 1n9c h VAL 27 N 0.65 0.00 0.00 0.00 2.07 -1.01 -2.43 116.25 115.53 1n9c h VAL 27 Ca 0.33 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.85 1n9c h VAL 27 Cb 0.29 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1n9c h VAL 27 CO -0.23 0.00 0.00 0.52 0.02 0.00 0.00 177.57 177.88 1n9c n VAL 28 N -5.51 0.00 0.38 2.57 0.31 0.08 -0.26 118.33 115.90 1n9c n VAL 28 Ca -0.10 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.32 1n9c n VAL 28 Cb 0.43 -0.32 0.14 0.00 -0.91 0.00 0.00 33.84 33.17 1n9c n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n9c n GLN 29 N -0.81 1.97 0.00 5.55 1.13 0.28 -3.99 117.38 121.51 1n9c n GLN 29 Ca 0.14 -1.87 0.00 0.00 -1.94 0.00 0.00 57.00 53.33 1n9c n GLN 29 Cb 0.07 -1.38 0.00 0.00 0.11 0.00 0.00 30.24 29.04 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 1.06 0.00 0.01 -1.09 7.27 -0.23 -4.87 117.38 119.53 1n9c n GLN 30 Ca 0.14 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.31 1n9c n GLN 30 Cb 0.48 -0.61 -0.08 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 -2.31 0.28 0.00 3.69 5.02 0.64 -4.48 118.16 121.00 1n9c n LYS 31 Ca 0.00 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1n9c n LYS 31 Cb 0.28 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 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 0.56 -0.91 0.00 3.07 -1.77 -0.71 117.51 117.75 1n9c h ILE 33 Ca 0.00 -0.03 0.33 0.00 1.55 0.00 0.00 64.86 66.72 1n9c h ILE 33 Cb 0.95 0.48 -0.17 0.00 -0.27 0.00 0.00 36.82 37.82 1n9c h ILE 33 CO 0.00 0.01 0.32 -1.20 -1.05 0.00 0.00 178.15 176.23 1n9c n SER 34 N -4.31 0.16 0.00 2.16 7.64 -1.26 -0.21 113.62 117.80 1n9c n SER 34 Ca 0.19 1.52 0.00 0.00 1.01 0.00 0.00 58.87 61.59 1n9c n SER 34 Cb 0.93 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 -2.35 0.00 0.00 0.00 8.25 -0.40 -0.21 115.22 120.51 1n9c n HIS 36 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1n9c n HIS 36 Cb 0.47 -0.40 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 1.37 -2.05 0.42 -1.41 0.00 0.71 -0.10 105.19 104.14 1n9c n GLY 37 Ca 0.10 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.77 1.45 -0.02 0.00 -1.95 0.86 103.07 102.64 1n9c h GLY 38 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 47.33 48.04 1n9c h GLY 38 CO 0.00 -0.07 0.00 1.22 0.00 0.00 0.00 176.54 177.69 1n9c n ASP 39 N -5.34 0.00 -0.66 0.19 9.92 -1.26 -4.88 116.55 114.52 1n9c n ASP 39 Ca 0.00 -0.27 -0.08 0.00 -0.53 0.00 0.00 54.79 53.91 1n9c n ASP 39 Cb 0.32 -0.23 -0.03 0.00 -0.64 0.00 0.00 41.12 40.54 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 -1.23 -0.65 -0.01 0.64 4.77 0.29 -4.62 117.00 116.20 1n9c n LEU 40 Ca 0.15 0.20 0.15 0.00 -0.03 0.00 0.00 56.01 56.48 1n9c n LEU 40 Cb 0.19 -1.45 0.85 0.00 -2.33 0.00 0.00 43.42 40.68 1n9c n LEU 40 CO 0.20 -0.42 1.06 0.35 -1.33 0.00 0.00 177.39 177.24 1n9c n THR 41 N -2.81 0.00 -0.47 -5.08 -2.24 -1.11 -0.43 114.28 102.14 1n9c n THR 41 Ca -0.08 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1n9c n THR 41 Cb 0.29 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 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 1.14 -0.75 0.16 3.38 0.00 0.86 -3.87 105.19 106.10 1n9c n GLY 42 Ca 0.19 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.97 0.50 0.65 4.61 0.00 -1.01 -4.74 120.51 121.49 1n9c n ALA 43 Ca 0.00 -0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.37 1n9c n ALA 43 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 1n9c n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1n9c n SER 44 N -2.43 3.21 -3.99 0.00 2.88 0.70 -4.95 113.62 109.04 1n9c n SER 44 Ca 0.00 -1.99 -0.09 0.00 -1.33 0.00 0.00 58.87 55.47 1n9c n SER 44 Cb 0.00 -0.13 -0.08 0.00 -0.75 0.00 0.00 64.21 63.24 1n9c n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n9c s ALA 45 N -1.74 0.21 0.93 -1.46 0.00 -1.05 -4.95 121.76 113.70 1n9c s ALA 45 Ca 0.34 -0.98 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 1n9c s ALA 45 Cb 0.22 0.55 0.15 0.00 0.00 0.00 0.00 23.12 24.03 1n9c s ALA 45 CO 0.31 -0.49 1.10 -1.25 0.00 0.00 0.00 175.76 175.43 1n9c s PRO 46 N -3.93 0.96 -0.18 0.00 0.04 -1.26 -4.22 135.00 126.40 1n9c s PRO 46 Ca 0.11 1.11 -0.29 0.00 0.04 0.00 0.00 61.00 61.97 1n9c s PRO 46 Cb 0.06 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.80 1n9c s PRO 46 CO -0.07 -2.53 1.92 0.00 0.04 0.00 0.00 177.00 176.36 1n9c s ALA 47 N -2.76 3.09 -2.17 8.56 0.00 -1.25 -4.14 121.76 123.09 1n9c s ALA 47 Ca 0.65 0.72 0.18 0.00 0.00 0.00 0.00 51.96 53.51 1n9c s ALA 47 Cb -0.21 -3.95 0.16 0.00 0.00 0.00 0.00 23.12 19.13 1n9c s ALA 47 CO 0.58 -2.26 1.09 0.44 0.00 0.00 0.00 175.76 175.62 1n9c n ILE 48 N 6.83 0.07 -0.32 0.00 -6.64 0.02 -4.50 119.36 114.82 1n9c n ILE 48 Ca 0.23 -0.53 0.18 0.00 -1.77 0.00 0.00 62.75 60.86 1n9c n ILE 48 Cb 0.44 1.31 0.38 0.00 -1.44 0.00 0.00 39.64 40.34 1n9c n ILE 48 CO 0.00 0.00 0.00 -0.78 -1.77 0.00 0.00 176.55 174.00 1n9c h ASP 49 N 3.47 0.42 -0.35 7.28 3.58 -1.00 0.15 116.42 129.97 1n9c h ASP 49 Ca 0.00 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1n9c h ASP 49 Cb 0.75 0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.93 1n9c h ASP 49 CO 0.00 -0.05 0.00 0.29 -2.88 0.00 0.00 179.24 176.60 1n9c n LYS 50 N -5.04 2.37 -0.33 0.28 4.01 -1.26 -4.21 118.16 113.98 1n9c n LYS 50 Ca 0.26 -2.06 0.18 0.00 -0.51 0.00 0.00 58.31 56.18 1n9c n LYS 50 Cb 0.79 -1.49 0.42 0.00 -0.51 0.00 0.00 35.03 34.24 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 4.43 1.95 -0.31 7.82 0.00 -0.93 0.40 119.26 132.63 1n9c h ALA 51 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1n9c h ALA 51 Cb 0.89 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1n9c h ALA 51 CO 0.00 -0.36 0.21 0.78 0.00 0.00 0.00 179.25 179.88 1n9c h GLY 52 N 0.55 0.30 1.05 0.00 0.00 -1.71 0.39 103.07 103.65 1n9c h GLY 52 Ca 0.60 -0.10 -0.22 0.00 0.00 0.00 0.00 47.33 47.61 1n9c h GLY 52 CO -0.36 0.09 -0.82 0.00 0.00 0.00 0.00 176.54 175.45 1n9c h ALA 53 N 1.83 0.15 -0.08 3.60 0.00 -0.56 -3.36 119.26 120.85 1n9c h ALA 53 Ca 0.13 -0.62 -0.19 0.00 0.00 0.00 0.00 54.91 54.23 1n9c h ALA 53 Cb 0.19 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1n9c h ALA 53 CO -0.03 0.56 -0.74 -0.91 0.00 0.00 0.00 179.25 178.14 1n9c h ASN 54 N 0.26 0.49 -5.05 0.00 2.35 -0.27 -3.46 115.58 109.91 1n9c h ASN 54 Ca -0.09 -0.33 -0.14 0.00 -0.55 0.00 0.00 56.30 55.19 1n9c h ASN 54 Cb 1.48 -0.15 -0.19 0.00 0.05 0.00 0.00 38.32 39.52 1n9c h ASN 54 CO 0.16 1.07 -0.59 -0.31 -1.65 0.00 0.00 177.43 176.11 1n9c s TYR 55 N -3.61 0.23 0.68 1.19 2.02 0.13 -5.07 117.35 112.92 1n9c s TYR 55 Ca -0.06 -0.51 -0.11 0.00 -0.37 0.00 0.00 57.07 56.03 1n9c s TYR 55 Cb 0.10 -0.17 0.00 0.00 -0.40 0.00 0.00 41.96 41.50 1n9c s TYR 55 CO 0.84 -0.29 1.06 0.45 -1.57 0.00 0.00 175.55 176.04 1n9c s SER 56 N -1.85 5.59 0.22 2.29 0.15 -1.26 -4.08 113.70 114.76 1n9c s SER 56 Ca -0.09 1.13 -0.07 0.00 0.70 0.00 0.00 55.95 57.62 1n9c s SER 56 Cb -0.04 -1.99 0.35 0.00 -1.71 0.00 0.00 66.02 62.63 1n9c s SER 56 CO -0.03 -1.23 1.74 1.05 1.20 0.00 0.00 173.24 175.98 1n9c h GLU 57 N -0.54 0.44 -0.67 5.44 4.11 -1.89 -1.18 114.58 120.29 1n9c h GLU 57 Ca -0.45 -0.03 0.09 0.00 0.07 0.00 0.00 59.36 59.05 1n9c h GLU 57 Cb 1.24 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 30.32 1n9c h GLU 57 CO 0.63 0.29 0.31 1.05 0.07 0.00 0.00 179.01 181.37 1n9c h GLU 58 N 0.46 0.53 0.04 1.06 4.11 -1.93 0.23 114.58 119.08 1n9c h GLU 58 Ca 0.35 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.75 1n9c h GLU 58 Cb 0.46 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1n9c h GLU 58 CO -0.34 0.35 -0.02 0.93 0.07 0.00 0.00 179.01 180.00 1n9c h GLU 59 N 0.54 -0.06 -0.14 1.06 5.08 -1.61 0.04 114.58 119.49 1n9c h GLU 59 Ca 0.33 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 1n9c h GLU 59 Cb 0.36 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1n9c h GLU 59 CO -0.27 0.10 0.07 0.82 -1.00 0.00 0.00 179.01 178.72 1n9c h ILE 60 N -0.20 1.13 -0.29 3.13 2.04 -0.93 -0.30 117.51 122.08 1n9c h ILE 60 Ca -0.01 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 65.54 1n9c h ILE 60 Cb 0.18 1.11 -0.08 0.00 -0.74 0.00 0.00 36.82 37.29 1n9c h ILE 60 CO 0.01 0.12 -0.42 0.25 0.00 0.00 0.00 178.15 178.11 1n9c h LEU 61 N 0.10 -1.36 -0.26 1.44 5.85 -0.47 0.18 115.31 120.80 1n9c h LEU 61 Ca 0.05 0.20 0.04 0.00 0.84 0.00 0.00 57.88 59.01 1n9c h LEU 61 Cb 0.13 0.58 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1n9c h LEU 61 CO -0.01 -0.39 0.03 -0.78 -0.34 0.00 0.00 178.44 176.96 1n9c h ASP 62 N -0.39 -0.04 -0.65 1.25 3.58 -0.67 0.06 116.42 119.57 1n9c h ASP 62 Ca 0.11 0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.63 1n9c h ASP 62 Cb 0.60 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.68 1n9c h ASP 62 CO -0.50 0.01 0.41 0.40 -2.88 0.00 0.00 179.24 176.69 1n9c h ILE 63 N 0.12 1.12 0.04 2.25 2.04 -0.15 0.35 117.51 123.28 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 0.14 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1n9c h ILE 63 CO -0.18 0.15 -0.02 0.40 0.00 0.00 0.00 178.15 178.50 1n9c h ILE 64 N 0.83 0.98 -0.47 -0.67 2.04 -0.22 0.45 117.51 120.44 1n9c h ILE 64 Ca 0.25 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 66.03 1n9c h ILE 64 Cb -0.04 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1n9c h ILE 64 CO -0.08 0.01 0.18 -0.07 0.00 0.00 0.00 178.15 178.20 1n9c h LEU 65 N -0.07 0.61 0.00 1.44 3.38 -0.05 0.24 115.31 120.87 1n9c h LEU 65 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1n9c h LEU 65 Cb 0.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1n9c h LEU 65 CO 0.01 0.56 -0.40 0.59 0.09 0.00 0.00 178.44 179.29 1n9c n ASN 66 N -4.35 0.83 0.00 -0.43 3.02 0.11 -2.93 115.26 111.52 1n9c n ASN 66 Ca 0.04 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1n9c n ASN 66 Cb 0.16 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 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 1.73 0.36 3.76 7.41 0.00 0.15 -4.30 105.19 114.31 1n9c n GLY 67 Ca -0.06 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.43 1.73 0.00 1.61 2.00 -0.93 -4.57 119.66 118.06 1n9c s GLN 68 Ca 0.00 -1.11 0.00 0.00 -2.00 0.00 0.00 55.36 52.25 1n9c s GLN 68 Cb 0.00 0.56 0.00 0.00 0.80 0.00 0.00 33.01 34.37 1n9c s GLN 68 CO 0.00 -0.77 0.00 0.41 -0.50 0.00 0.00 175.29 174.43 1n9c n GLY 69 N -0.44 0.00 2.38 2.59 0.00 -1.26 -0.53 105.19 107.94 1n9c n GLY 69 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 5.91 3.12 -0.02 0.00 -1.26 -4.92 105.19 108.02 1n9c n GLY 70 Ca 0.00 -2.41 -0.34 0.00 0.00 0.00 0.00 46.02 43.27 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 -3.82 2.21 0.35 1.61 0.00 0.31 -5.02 119.30 114.94 1n9c s MET 71 Ca 0.60 -1.43 0.02 0.00 0.00 0.00 0.00 55.69 54.88 1n9c s MET 71 Cb 0.48 -3.16 0.63 0.00 0.00 0.00 0.00 34.83 32.78 1n9c s MET 71 CO -0.08 -0.70 2.00 -1.00 0.00 0.00 0.00 175.02 175.24 1n9c h PRO 72 N 7.90 0.82 -0.33 4.11 0.13 -1.91 -2.47 132.00 140.24 1n9c h PRO 72 Ca -0.17 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 64.93 1n9c h PRO 72 Cb 1.05 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 1n9c h PRO 72 CO 0.53 0.56 -0.12 0.41 -0.23 0.00 0.00 178.00 179.16 1n9c n GLY 73 N -1.39 -2.59 2.63 1.56 0.00 -1.26 -4.63 105.19 99.51 1n9c n GLY 73 Ca 0.06 -1.42 -0.07 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.29 0.76 0.29 -0.02 0.00 0.86 -4.85 105.19 99.94 1n9c n GLY 74 Ca -0.01 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 1.07 -3.97 -0.61 1.08 -1.89 -3.40 117.51 109.78 1n9c h ILE 75 Ca -0.14 -0.13 -0.35 0.00 -0.39 0.00 0.00 64.86 63.85 1n9c h ILE 75 Cb 0.88 0.70 -0.27 0.00 -3.07 0.00 0.00 36.82 35.06 1n9c h ILE 75 CO 0.21 0.06 -0.76 0.00 -0.69 0.00 0.00 178.15 176.97 1n9c s ALA 76 N -5.32 0.63 0.04 1.87 0.00 -1.26 -5.04 121.76 112.67 1n9c s ALA 76 Ca -0.07 -0.39 -0.00 0.00 0.00 0.00 0.00 51.96 51.50 1n9c s ALA 76 Cb 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 1n9c s ALA 76 CO 0.71 0.13 -0.04 0.15 0.00 0.00 0.00 175.76 176.71 1n9c s LYS 77 N -0.39 0.47 4.17 0.00 -0.14 -1.26 -4.18 119.74 118.41 1n9c s LYS 77 Ca 0.01 -0.88 0.00 0.00 -1.36 0.00 0.00 55.97 53.74 1n9c s LYS 77 Cb -0.04 0.09 0.00 0.00 -1.68 0.00 0.00 37.83 36.20 1n9c s LYS 77 CO -0.00 -0.06 0.00 0.41 -0.76 0.00 0.00 175.35 174.94 1n9c n GLY 78 N 0.97 2.49 0.32 -3.33 0.00 -1.26 -2.54 105.19 101.83 1n9c n GLY 78 Ca -0.20 -0.33 0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 7.86 0.94 0.23 4.61 0.00 -1.26 -0.14 120.51 132.75 1n9c n ALA 79 Ca 0.00 1.02 -0.15 0.00 0.00 0.00 0.00 53.44 54.31 1n9c n ALA 79 Cb 0.00 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.66 -0.40 0.00 4.57 -1.87 0.12 114.58 116.33 1n9c h GLU 80 Ca 0.80 0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 58.90 1n9c h GLU 80 Cb 2.07 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 30.80 1n9c h GLU 80 CO -0.79 -0.44 -0.27 0.00 -1.18 0.00 0.00 179.01 176.32 1n9c h ALA 81 N -0.17 0.58 0.14 2.92 0.00 -0.61 -1.33 119.26 120.78 1n9c h ALA 81 Ca -0.03 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1n9c h ALA 81 Cb 0.60 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1n9c h ALA 81 CO -0.02 0.60 -0.36 0.93 0.00 0.00 0.00 179.25 180.40 1n9c h GLU 82 N 0.72 -0.58 -0.05 0.00 5.08 -0.99 0.83 114.58 119.58 1n9c h GLU 82 Ca 0.08 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1n9c h GLU 82 Cb 0.85 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 1n9c h GLU 82 CO 0.07 -0.38 -0.21 0.00 -1.00 0.00 0.00 179.01 177.50 1n9c h ALA 83 N -0.01 -0.22 -0.09 3.43 0.00 -0.72 -2.03 119.26 119.61 1n9c h ALA 83 Ca 0.02 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1n9c h ALA 83 Cb 0.62 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1n9c h ALA 83 CO -0.20 -0.69 -0.38 0.28 0.00 0.00 0.00 179.25 178.27 1n9c h VAL 84 N -0.30 0.00 -0.19 0.00 2.07 -0.96 -1.73 116.25 115.13 1n9c h VAL 84 Ca 0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.65 1n9c h VAL 84 Cb 0.41 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 1n9c h VAL 84 CO -0.22 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.03 1n9c h ALA 85 N -0.66 -0.36 0.21 1.67 0.00 -0.50 0.23 119.26 119.85 1n9c h ALA 85 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1n9c h ALA 85 Cb 0.47 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1n9c h ALA 85 CO -0.30 -0.80 -0.18 0.00 0.00 0.00 0.00 179.25 177.98 1n9c h ALA 86 N 0.46 -0.38 -0.59 0.00 0.00 -1.33 0.01 119.26 117.44 1n9c h ALA 86 Ca 0.11 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1n9c h ALA 86 Cb 0.55 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 1n9c h ALA 86 CO -0.40 -0.73 0.22 2.35 0.00 0.00 0.00 179.25 180.69 1n9c h TRP 87 N -0.40 0.39 -0.36 0.00 7.01 -0.90 -1.46 115.95 120.23 1n9c h TRP 87 Ca -0.01 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 1n9c h TRP 87 Cb 0.36 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.32 1n9c h TRP 87 CO -0.13 0.11 0.15 1.25 -2.79 0.00 0.00 178.44 177.03 1n9c h LEU 88 N 0.41 0.49 -1.84 0.65 7.12 -0.04 0.23 115.31 122.32 1n9c h LEU 88 Ca 0.29 -0.15 0.17 0.00 0.13 0.00 0.00 57.88 58.32 1n9c h LEU 88 Cb 0.35 -0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 40.32 1n9c h LEU 88 CO -0.29 0.51 0.47 0.00 -0.13 0.00 0.00 178.44 178.99 1n9c h ALA 89 N 1.00 2.41 0.00 1.25 0.00 -0.61 0.62 119.26 123.93 1n9c h ALA 89 Ca 0.12 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1n9c h ALA 89 Cb 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1n9c h ALA 89 CO -0.01 -0.60 -0.85 1.49 0.00 0.00 0.00 179.25 179.28 1n9c h GLU 90 N 0.15 0.00 -0.05 0.00 4.22 -0.07 -3.38 114.58 115.45 1n9c h GLU 90 Ca 0.32 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.61 1n9c h GLU 90 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1n9c h GLU 90 CO -0.05 0.62 -0.66 -0.22 -2.18 0.00 0.00 179.01 176.52 1n9c h LYS 91 N 0.00 0.21 0.00 1.92 3.11 0.18 -3.51 116.57 118.48 1n9c h LYS 91 Ca -0.04 -0.16 0.00 0.00 -2.81 0.00 0.00 60.65 57.63 1n9c h LYS 91 Cb 1.57 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.83 1n9c h LYS 91 CO 0.08 0.80 0.00 0.36 -2.81 0.00 0.00 179.45 177.88