#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 5.38 0.23 4.52 1.11 -1.26 -4.82 116.67 121.83 1n9c s ASP 23 Ca 0.00 0.09 -0.12 0.00 0.18 0.00 0.00 52.55 52.71 1n9c s ASP 23 Cb 0.00 -2.54 0.30 0.00 1.07 0.00 0.00 42.92 41.76 1n9c s ASP 23 CO 0.00 -2.35 1.61 0.00 1.18 0.00 0.00 175.17 175.62 1n9c h ALA 24 N 13.88 0.51 -0.48 5.23 0.00 -1.90 0.29 119.26 136.77 1n9c h ALA 24 Ca -0.21 0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1n9c h ALA 24 Cb 1.13 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 1n9c h ALA 24 CO 1.23 -0.42 0.20 1.05 0.00 0.00 0.00 179.25 181.31 1n9c h GLU 25 N 0.01 0.72 -0.89 0.00 4.11 -1.92 -0.37 114.58 116.24 1n9c h GLU 25 Ca 0.35 -0.13 0.08 0.00 0.07 0.00 0.00 59.36 59.74 1n9c h GLU 25 Cb 0.55 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.61 1n9c h GLU 25 CO -0.74 0.64 0.55 0.00 0.07 0.00 0.00 179.01 179.53 1n9c h ALA 26 N 1.04 1.26 0.33 1.06 0.00 -0.89 0.38 119.26 122.46 1n9c h ALA 26 Ca 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1n9c h ALA 26 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1n9c h ALA 26 CO -0.01 0.24 -0.33 0.28 0.00 0.00 0.00 179.25 179.42 1n9c h VAL 27 N 0.95 0.00 -0.50 0.00 2.07 -0.87 -2.94 116.25 114.96 1n9c h VAL 27 Ca 0.41 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.87 1n9c h VAL 27 Cb 0.28 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1n9c h VAL 27 CO -0.21 0.00 0.07 0.58 0.02 0.00 0.00 177.57 178.03 1n9c h VAL 28 N -0.67 1.25 0.00 2.57 2.07 0.82 0.51 116.25 122.81 1n9c h VAL 28 Ca -0.04 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1n9c h VAL 28 Cb 0.58 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1n9c h VAL 28 CO -0.04 0.34 0.03 0.00 0.02 0.00 0.00 177.57 177.92 1n9c n GLN 29 N -4.40 0.00 0.00 1.57 3.00 0.11 -0.73 117.38 116.94 1n9c n GLN 29 Ca 0.01 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1n9c n GLN 29 Cb 0.26 -1.53 0.00 0.00 0.00 0.00 0.00 30.24 28.97 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 -1.06 -0.02 0.00 -1.09 7.27 0.58 -4.84 117.38 118.22 1n9c n GLN 30 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.03 1n9c n GLN 30 Cb 0.03 -0.51 0.00 0.00 2.41 0.00 0.00 30.24 32.17 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 -0.00 2.49 -0.06 3.69 4.76 0.15 -4.85 118.16 124.33 1n9c n LYS 31 Ca 0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 1n9c n LYS 31 Cb 0.26 -0.83 -0.06 0.00 -1.84 0.00 0.00 35.03 32.56 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 0.58 -1.01 0.00 3.07 -1.56 0.13 117.51 118.72 1n9c h ILE 33 Ca -0.28 -0.00 0.40 0.00 1.55 0.00 0.00 64.86 66.53 1n9c h ILE 33 Cb 1.47 0.57 -0.16 0.00 -0.27 0.00 0.00 36.82 38.42 1n9c h ILE 33 CO -0.04 0.00 0.57 -1.20 -1.05 0.00 0.00 178.15 176.44 1n9c n SER 34 N -4.29 0.30 0.00 2.16 7.64 -1.26 -0.24 113.62 117.93 1n9c n SER 34 Ca 0.17 1.50 0.00 0.00 1.01 0.00 0.00 58.87 61.55 1n9c n SER 34 Cb 0.91 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 -2.28 0.00 0.00 0.00 8.25 0.24 0.03 115.22 121.46 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 0.42 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 31.05 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 1.21 -2.15 0.40 -1.41 0.00 0.67 -0.14 105.19 103.77 1n9c n GLY 37 Ca 0.07 -1.44 -0.07 0.00 0.00 0.00 0.00 46.02 44.58 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 0.29 -0.02 0.00 -1.95 0.16 103.07 101.12 1n9c h GLY 38 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 47.33 47.96 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 0.63 -0.99 0.19 8.00 -1.26 -4.89 116.55 112.85 1n9c n ASP 39 Ca 0.04 -1.30 -0.12 0.00 0.71 0.00 0.00 54.79 54.12 1n9c n ASP 39 Cb 0.34 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.38 1n9c n ASP 39 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1n9c n LEU 40 N -0.47 -0.98 0.00 0.64 4.77 0.58 -4.63 117.00 116.91 1n9c n LEU 40 Ca 0.20 0.26 0.13 0.00 -0.03 0.00 0.00 56.01 56.56 1n9c n LEU 40 Cb 0.20 -1.88 0.64 0.00 -2.33 0.00 0.00 43.42 40.04 1n9c n LEU 40 CO 0.16 -0.57 0.93 0.35 -1.33 0.00 0.00 177.39 176.93 1n9c n THR 41 N -2.83 0.18 -0.26 -5.08 -2.24 -1.15 -0.70 114.28 102.19 1n9c n THR 41 Ca -0.12 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1n9c n THR 41 Cb 0.43 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 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 0.98 -0.32 0.21 3.38 0.00 0.81 -3.85 105.19 106.39 1n9c n GLY 42 Ca 0.11 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 2.05 1.67 1.18 4.61 0.00 -1.00 -4.77 120.51 124.24 1n9c n ALA 43 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1n9c n ALA 43 Cb 0.00 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.52 2.08 -3.99 0.00 7.64 0.10 -4.90 113.62 113.03 1n9c n SER 44 Ca 0.00 -1.72 -0.08 0.00 1.01 0.00 0.00 58.87 58.08 1n9c n SER 44 Cb 0.00 -0.06 -0.09 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.88 0.18 0.99 -0.43 0.00 -0.95 -4.94 121.76 114.72 1n9c s ALA 45 Ca 0.35 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 51.28 1n9c s ALA 45 Cb 0.20 0.34 0.18 0.00 0.00 0.00 0.00 23.12 23.84 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 -3.71 0.50 -0.01 0.00 0.04 -1.26 -4.23 135.00 126.33 1n9c s PRO 46 Ca 0.04 1.07 -0.30 0.00 0.04 0.00 0.00 61.00 61.86 1n9c s PRO 46 Cb 0.06 -1.70 -0.07 0.00 0.04 0.00 0.00 34.50 32.82 1n9c s PRO 46 CO -0.10 -2.84 1.81 0.00 0.04 0.00 0.00 177.00 175.92 1n9c s ALA 47 N -2.69 3.60 -0.71 8.56 0.00 -1.25 -4.11 121.76 125.16 1n9c s ALA 47 Ca 0.66 1.13 0.06 0.00 0.00 0.00 0.00 51.96 53.81 1n9c s ALA 47 Cb -0.22 -3.79 0.04 0.00 0.00 0.00 0.00 23.12 19.15 1n9c s ALA 47 CO 0.60 -1.48 0.67 0.44 0.00 0.00 0.00 175.76 175.98 1n9c n ILE 48 N 5.51 0.00 -0.33 0.00 -6.64 0.12 -4.60 119.36 113.43 1n9c n ILE 48 Ca 0.19 -0.50 0.19 0.00 -1.77 0.00 0.00 62.75 60.86 1n9c n ILE 48 Cb 0.42 1.12 0.39 0.00 -1.44 0.00 0.00 39.64 40.13 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 1.10 0.43 -0.27 7.28 2.03 -1.31 0.12 116.42 125.79 1n9c h ASP 49 Ca 0.00 0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.47 1n9c h ASP 49 Cb 0.24 0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.88 1n9c h ASP 49 CO 0.00 -0.06 0.00 0.29 -1.03 0.00 0.00 179.24 178.44 1n9c n LYS 50 N -5.05 2.26 0.12 4.15 4.01 -1.26 -4.37 118.16 118.03 1n9c n LYS 50 Ca 0.27 -1.90 0.19 0.00 -0.51 0.00 0.00 58.31 56.37 1n9c n LYS 50 Cb 0.82 -1.48 0.77 0.00 -0.51 0.00 0.00 35.03 34.63 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 2.04 -0.15 7.82 0.00 -1.01 0.39 119.26 132.78 1n9c h ALA 51 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1n9c h ALA 51 Cb 0.85 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1n9c h ALA 51 CO 0.00 -0.55 -0.36 0.78 0.00 0.00 0.00 179.25 179.12 1n9c h GLY 52 N 0.00 0.33 0.90 0.00 0.00 -1.69 0.37 103.07 102.98 1n9c h GLY 52 Ca 0.16 -0.30 -0.16 0.00 0.00 0.00 0.00 47.33 47.04 1n9c h GLY 52 CO -0.00 0.27 -0.57 0.00 0.00 0.00 0.00 176.54 176.24 1n9c h ALA 53 N 1.37 0.18 -0.06 3.60 0.00 -0.59 -3.37 119.26 120.38 1n9c h ALA 53 Ca 0.03 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 1n9c h ALA 53 Cb 0.76 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1n9c h ALA 53 CO 0.06 0.42 -0.51 -0.91 0.00 0.00 0.00 179.25 178.30 1n9c h ASN 54 N 0.13 0.55 -3.59 0.00 2.35 -0.80 -3.47 115.58 110.75 1n9c h ASN 54 Ca -0.05 -0.69 -0.41 0.00 -0.55 0.00 0.00 56.30 54.61 1n9c h ASN 54 Cb 1.22 -0.16 -0.14 0.00 0.05 0.00 0.00 38.32 39.28 1n9c h ASN 54 CO 0.12 1.16 -0.67 -0.31 -1.65 0.00 0.00 177.43 176.07 1n9c s TYR 55 N -3.49 1.64 0.41 1.19 2.02 0.13 -5.07 117.35 114.18 1n9c s TYR 55 Ca -0.13 -0.83 0.07 0.00 -0.37 0.00 0.00 57.07 55.81 1n9c s TYR 55 Cb 0.04 -0.92 0.01 0.00 -0.40 0.00 0.00 41.96 40.69 1n9c s TYR 55 CO 0.82 0.08 0.56 0.45 -1.57 0.00 0.00 175.55 175.89 1n9c s SER 56 N -3.33 5.72 0.22 2.29 0.15 -1.26 -4.03 113.70 113.46 1n9c s SER 56 Ca 0.27 -0.30 -0.07 0.00 0.70 0.00 0.00 55.95 56.55 1n9c s SER 56 Cb 0.04 -0.86 0.33 0.00 -1.71 0.00 0.00 66.02 63.82 1n9c s SER 56 CO 0.08 -0.70 1.78 1.05 1.20 0.00 0.00 173.24 176.66 1n9c h GLU 57 N 0.65 0.59 -0.26 5.44 -0.00 -1.91 -1.53 114.58 117.56 1n9c h GLU 57 Ca -0.42 -0.04 0.06 0.00 -0.00 0.00 0.00 59.36 58.97 1n9c h GLU 57 Cb 1.27 -0.13 -0.06 0.00 -0.00 0.00 0.00 28.75 29.83 1n9c h GLU 57 CO 0.48 0.39 -0.14 1.05 -0.00 0.00 0.00 179.01 180.79 1n9c h GLU 58 N 0.61 -0.11 -0.08 1.06 4.11 -1.95 0.22 114.58 118.43 1n9c h GLU 58 Ca 0.35 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.79 1n9c h GLU 58 Cb 0.36 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1n9c h GLU 58 CO -0.26 -0.07 0.05 0.93 0.07 0.00 0.00 179.01 179.72 1n9c h GLU 59 N -0.12 0.10 -0.01 1.06 5.08 -1.71 -0.13 114.58 118.86 1n9c h GLU 59 Ca 0.14 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1n9c h GLU 59 Cb 0.33 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1n9c h GLU 59 CO -0.33 0.07 0.00 0.82 -1.00 0.00 0.00 179.01 178.57 1n9c h ILE 60 N 0.11 1.14 -0.35 3.13 2.04 -0.90 0.01 117.51 122.69 1n9c h ILE 60 Ca 0.03 -0.42 0.06 0.00 1.00 0.00 0.00 64.86 65.53 1n9c h ILE 60 Cb -0.01 1.41 -0.08 0.00 -0.74 0.00 0.00 36.82 37.40 1n9c h ILE 60 CO -0.01 0.11 -0.46 0.25 0.00 0.00 0.00 178.15 178.04 1n9c h LEU 61 N -0.16 -1.50 -0.50 1.44 5.85 -0.45 0.16 115.31 120.16 1n9c h LEU 61 Ca 0.00 0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1n9c h LEU 61 Cb 0.18 0.64 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1n9c h LEU 61 CO -0.00 -0.39 0.32 -0.78 -0.34 0.00 0.00 178.44 177.25 1n9c h ASP 62 N -0.38 0.54 -0.70 1.25 3.58 -0.77 -0.40 116.42 119.54 1n9c h ASP 62 Ca 0.11 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.57 1n9c h ASP 62 Cb 0.60 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.49 1n9c h ASP 62 CO -0.54 0.39 0.45 0.40 -2.88 0.00 0.00 179.24 177.06 1n9c h ILE 63 N 0.65 1.16 -0.17 2.25 2.04 -0.17 0.36 117.51 123.62 1n9c h ILE 63 Ca 0.19 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.74 1n9c h ILE 63 Cb -0.04 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 1n9c h ILE 63 CO -0.06 0.17 0.10 0.40 0.00 0.00 0.00 178.15 178.76 1n9c h ILE 64 N 0.92 1.03 -0.31 -0.67 2.04 0.01 0.46 117.51 120.98 1n9c h ILE 64 Ca 0.26 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.97 1n9c h ILE 64 Cb -0.07 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1n9c h ILE 64 CO -0.07 0.04 -0.13 -0.07 0.00 0.00 0.00 178.15 177.92 1n9c h LEU 65 N 0.22 0.52 0.00 1.44 3.38 -0.35 0.22 115.31 120.72 1n9c h LEU 65 Ca 0.07 -0.14 -0.25 0.00 0.09 0.00 0.00 57.88 57.65 1n9c h LEU 65 Cb -0.01 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1n9c h LEU 65 CO -0.03 0.68 -1.77 0.59 0.09 0.00 0.00 178.44 178.00 1n9c n ASN 66 N -4.19 1.73 0.00 -0.43 3.02 0.12 -2.28 115.26 113.23 1n9c n ASN 66 Ca 0.01 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 1n9c n ASN 66 Cb 0.33 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 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 1.61 0.66 3.64 7.41 0.00 0.16 -4.27 105.19 114.39 1n9c n GLY 67 Ca -0.34 -2.12 -0.08 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.98 0.55 0.00 1.61 2.00 -1.23 -4.50 119.66 117.10 1n9c s GLN 68 Ca 0.00 0.76 0.00 0.00 -2.00 0.00 0.00 55.36 54.12 1n9c s GLN 68 Cb 0.00 0.21 0.00 0.00 0.80 0.00 0.00 33.01 34.02 1n9c s GLN 68 CO 0.00 -0.08 0.00 0.41 -0.50 0.00 0.00 175.29 175.12 1n9c n GLY 69 N 2.99 1.79 0.03 2.59 0.00 -1.26 0.25 105.19 111.58 1n9c n GLY 69 Ca -0.15 0.55 0.12 0.00 0.00 0.00 0.00 46.02 46.54 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 -1.19 3.70 -0.02 0.00 -1.26 -4.90 105.19 101.53 1n9c n GLY 70 Ca 0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.92 4.18 0.26 1.61 0.00 0.14 -4.91 119.30 117.66 1n9c s MET 71 Ca 0.14 2.43 -0.03 0.00 0.00 0.00 0.00 55.69 58.22 1n9c s MET 71 Cb 0.18 -3.37 0.33 0.00 0.00 0.00 0.00 34.83 31.97 1n9c s MET 71 CO 0.65 -0.71 1.80 -1.00 0.00 0.00 0.00 175.02 175.77 1n9c h PRO 72 N 7.63 0.93 0.00 4.11 0.13 -1.90 -3.25 132.00 139.64 1n9c h PRO 72 Ca -0.43 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1n9c h PRO 72 Cb 1.21 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1n9c h PRO 72 CO 0.93 0.82 0.00 0.41 -0.23 0.00 0.00 178.00 179.93 1n9c n GLY 73 N -0.84 -2.16 2.41 1.56 0.00 -1.26 -4.57 105.19 100.34 1n9c n GLY 73 Ca 0.05 -1.49 -0.17 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.17 0.82 0.24 -0.02 0.00 0.76 -4.84 105.19 99.98 1n9c n GLY 74 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 1.21 -3.94 -0.61 1.08 -1.86 -3.42 117.51 109.97 1n9c h ILE 75 Ca -0.36 -0.92 -0.34 0.00 -0.39 0.00 0.00 64.86 62.85 1n9c h ILE 75 Cb 1.17 1.25 -0.21 0.00 -3.07 0.00 0.00 36.82 35.95 1n9c h ILE 75 CO 0.48 0.29 -0.75 0.00 -0.69 0.00 0.00 178.15 177.48 1n9c s ALA 76 N -4.66 0.89 0.03 1.87 0.00 -1.26 -5.06 121.76 113.56 1n9c s ALA 76 Ca -0.06 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 50.94 1n9c s ALA 76 Cb 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 1n9c s ALA 76 CO 0.75 0.06 0.11 0.15 0.00 0.00 0.00 175.76 176.83 1n9c s LYS 77 N -1.75 0.56 5.49 0.00 1.02 -1.26 -4.34 119.74 119.46 1n9c s LYS 77 Ca -0.05 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.30 1n9c s LYS 77 Cb -0.09 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 1n9c s LYS 77 CO 0.01 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.71 1n9c n GLY 78 N 0.99 2.56 0.43 -3.33 0.00 -1.26 -2.81 105.19 101.77 1n9c n GLY 78 Ca -0.20 -0.41 0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 2.55 0.35 4.61 0.00 -1.99 0.31 119.26 124.11 1n9c h ALA 79 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1n9c h ALA 79 Cb 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1n9c h ALA 79 CO 0.00 -1.18 -0.42 1.49 0.00 0.00 0.00 179.25 179.14 1n9c h GLU 80 N 0.12 -0.75 -0.51 0.00 4.81 -1.87 0.13 114.58 116.51 1n9c h GLU 80 Ca 0.80 0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.98 1n9c h GLU 80 Cb 2.36 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 31.90 1n9c h GLU 80 CO -0.47 -0.50 -0.10 0.00 -0.73 0.00 0.00 179.01 177.20 1n9c h ALA 81 N -1.01 0.86 -0.10 2.92 0.00 -0.58 -1.11 119.26 120.24 1n9c h ALA 81 Ca -0.04 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1n9c h ALA 81 Cb 0.69 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1n9c h ALA 81 CO -0.08 0.65 -0.07 0.93 0.00 0.00 0.00 179.25 180.68 1n9c h GLU 82 N 0.84 -0.07 -0.15 0.00 5.08 -0.97 0.19 114.58 119.50 1n9c h GLU 82 Ca 0.13 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1n9c h GLU 82 Cb 0.64 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1n9c h GLU 82 CO 0.04 -0.05 -0.04 0.00 -1.00 0.00 0.00 179.01 177.96 1n9c h ALA 83 N 1.01 0.09 -0.12 3.43 0.00 -0.52 -1.60 119.26 121.57 1n9c h ALA 83 Ca 0.06 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1n9c h ALA 83 Cb 0.16 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1n9c h ALA 83 CO -0.14 -0.49 -0.45 0.28 0.00 0.00 0.00 179.25 178.45 1n9c h VAL 84 N -0.01 0.11 -0.41 0.00 2.07 -0.76 -0.37 116.25 116.87 1n9c h VAL 84 Ca 0.07 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.67 1n9c h VAL 84 Cb 0.12 0.11 -0.09 0.00 -1.52 0.00 0.00 31.29 29.91 1n9c h VAL 84 CO -0.16 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 177.11 1n9c h ALA 85 N 0.00 -0.16 0.08 1.67 0.00 -0.02 0.58 119.26 121.41 1n9c h ALA 85 Ca 0.06 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1n9c h ALA 85 Cb 0.65 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1n9c h ALA 85 CO -0.40 -0.72 -0.04 0.00 0.00 0.00 0.00 179.25 178.09 1n9c h ALA 86 N 0.79 -0.11 0.00 0.00 0.00 -1.17 0.16 119.26 118.92 1n9c h ALA 86 Ca 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1n9c h ALA 86 Cb 0.54 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1n9c h ALA 86 CO -0.55 -0.54 -0.10 2.35 0.00 0.00 0.00 179.25 180.41 1n9c h TRP 87 N -0.16 0.00 0.13 0.00 7.01 -0.10 0.11 115.95 122.94 1n9c h TRP 87 Ca -0.01 0.00 -0.27 0.00 2.11 0.00 0.00 58.89 60.72 1n9c h TRP 87 Cb 0.13 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 1n9c h TRP 87 CO -0.06 0.10 -1.35 1.25 -2.79 0.00 0.00 178.44 175.59 1n9c h LEU 88 N 0.00 0.44 -0.79 0.65 7.12 0.32 -3.22 115.31 119.83 1n9c h LEU 88 Ca -0.00 -0.88 0.09 0.00 0.13 0.00 0.00 57.88 57.22 1n9c h LEU 88 Cb 0.22 -0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 40.14 1n9c h LEU 88 CO 0.01 1.60 0.44 0.00 -0.13 0.00 0.00 178.44 180.36 1n9c h ALA 89 N -0.00 1.11 0.00 1.25 0.00 -0.25 -0.02 119.26 121.35 1n9c h ALA 89 Ca -0.28 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1n9c h ALA 89 Cb 1.79 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1n9c h ALA 89 CO 0.09 0.06 0.00 -0.85 0.00 0.00 0.00 179.25 178.55 1n9c n GLU 90 N -4.78 0.30 0.00 0.00 -0.00 0.33 -4.27 120.64 112.23 1n9c n GLU 90 Ca 0.13 0.09 0.03 0.00 -0.00 0.00 0.00 57.16 57.40 1n9c n GLU 90 Cb 0.27 -1.50 0.16 0.00 -0.00 0.00 0.00 31.44 30.37 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 -1.28 0.55 0.00 3.44 3.00 -0.03 -5.08 118.16 118.77 1n9c n LYS 91 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1n9c n LYS 91 Cb 0.16 -1.15 0.00 0.00 0.00 0.00 0.00 35.03 34.04 1n9c n LYS 91 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76