#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 6.22 0.20 4.52 1.11 -1.26 -4.89 116.67 122.57 1n9c s ASP 23 Ca 0.00 -0.41 -0.18 0.00 0.18 0.00 0.00 52.55 52.14 1n9c s ASP 23 Cb 0.00 -2.54 0.18 0.00 1.07 0.00 0.00 42.92 41.63 1n9c s ASP 23 CO 0.00 -1.71 1.60 0.00 1.18 0.00 0.00 175.17 176.24 1n9c h ALA 24 N 9.87 0.13 -0.34 5.23 0.00 -1.93 0.26 119.26 132.47 1n9c h ALA 24 Ca -0.27 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1n9c h ALA 24 Cb 1.05 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 1n9c h ALA 24 CO 1.25 -0.59 0.22 1.05 0.00 0.00 0.00 179.25 181.18 1n9c h GLU 25 N -0.11 0.45 -0.56 0.00 4.11 -1.90 -2.50 114.58 114.07 1n9c h GLU 25 Ca 0.27 -0.03 0.06 0.00 0.07 0.00 0.00 59.36 59.73 1n9c h GLU 25 Cb 0.54 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 1n9c h GLU 25 CO -0.69 0.32 0.26 0.00 0.07 0.00 0.00 179.01 178.96 1n9c h ALA 26 N 1.11 0.73 -0.24 1.06 0.00 -0.99 0.33 119.26 121.27 1n9c h ALA 26 Ca 0.12 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1n9c h ALA 26 Cb -0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1n9c h ALA 26 CO -0.03 -0.11 -0.49 0.28 0.00 0.00 0.00 179.25 178.91 1n9c h VAL 27 N 0.49 0.00 -0.44 0.00 2.07 -0.75 -1.72 116.25 115.90 1n9c h VAL 27 Ca 0.26 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.64 1n9c h VAL 27 Cb 0.23 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1n9c h VAL 27 CO -0.22 0.00 -0.29 0.58 0.02 0.00 0.00 177.57 177.66 1n9c h VAL 28 N -0.43 1.27 0.00 2.57 2.07 -0.49 0.55 116.25 121.78 1n9c h VAL 28 Ca 0.05 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1n9c h VAL 28 Cb 0.56 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1n9c h VAL 28 CO -0.46 0.50 0.00 0.00 0.02 0.00 0.00 177.57 177.63 1n9c n GLN 29 N -4.10 0.00 0.00 1.57 1.13 0.96 -0.88 117.38 116.06 1n9c n GLN 29 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1n9c n GLN 29 Cb 0.50 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.38 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 -0.92 1.61 0.00 -1.09 7.27 0.32 -4.87 117.38 119.70 1n9c n GLN 30 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1n9c n GLN 30 Cb 0.00 -0.14 0.00 0.00 2.41 0.00 0.00 30.24 32.51 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 -0.07 1.26 -0.02 3.69 5.02 0.17 -4.78 118.16 123.42 1n9c n LYS 31 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1n9c n LYS 31 Cb 0.00 -0.89 -0.02 0.00 -0.02 0.00 0.00 35.03 34.10 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 -0.02 0.47 -0.91 0.00 3.07 -1.50 0.88 117.51 119.50 1n9c h ILE 33 Ca -0.09 -0.05 0.35 0.00 1.55 0.00 0.00 64.86 66.62 1n9c h ILE 33 Cb 1.13 0.30 -0.13 0.00 -0.27 0.00 0.00 36.82 37.85 1n9c h ILE 33 CO -0.02 0.03 0.53 -1.20 -1.05 0.00 0.00 178.15 176.44 1n9c n SER 34 N -4.37 0.24 -0.02 2.16 7.64 -1.26 -0.14 113.62 117.87 1n9c n SER 34 Ca 0.24 1.27 -0.03 0.00 1.01 0.00 0.00 58.87 61.37 1n9c n SER 34 Cb 1.06 -0.62 -0.01 0.00 -1.01 0.00 0.00 64.21 63.63 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 -2.72 0.00 0.00 0.00 8.25 0.09 -0.22 115.22 120.62 1n9c n HIS 36 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1n9c n HIS 36 Cb 0.56 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 0.60 1.91 1.98 -1.41 0.00 0.80 -0.60 105.19 108.47 1n9c n GLY 37 Ca 0.07 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.63 0.42 -0.02 0.00 -1.26 -4.57 105.19 98.13 1n9c n GLY 38 Ca 0.00 0.35 0.11 0.00 0.00 0.00 0.00 46.02 46.48 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 -3.31 1.27 -1.58 1.61 8.00 -1.26 -4.87 116.55 116.40 1n9c n ASP 39 Ca 0.00 -1.59 -0.15 0.00 0.71 0.00 0.00 54.79 53.76 1n9c n ASP 39 Cb 0.00 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.01 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 0.04 -1.54 0.00 0.64 7.99 -1.26 -4.55 117.00 118.32 1n9c n LEU 40 Ca 0.17 0.08 0.14 0.00 -0.01 0.00 0.00 56.01 56.38 1n9c n LEU 40 Cb 0.28 -2.25 0.71 0.00 -0.11 0.00 0.00 43.42 42.05 1n9c n LEU 40 CO 0.13 -0.31 0.98 0.35 -1.51 0.00 0.00 177.39 177.03 1n9c n THR 41 N -3.66 0.08 -0.48 -5.08 -2.24 -1.23 -0.86 114.28 100.81 1n9c n THR 41 Ca -0.17 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1n9c n THR 41 Cb 0.60 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 1.06 -0.99 0.00 3.38 0.00 0.23 -4.17 105.19 104.70 1n9c n GLY 42 Ca 0.14 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.17 0.03 1.34 4.61 0.00 -0.96 -4.70 120.51 121.00 1n9c n ALA 43 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.56 1n9c n ALA 43 Cb 0.00 0.00 0.44 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.51 1.71 -3.90 0.00 2.88 0.70 -4.88 113.62 108.62 1n9c n SER 44 Ca 0.00 -1.62 -0.08 0.00 -1.33 0.00 0.00 58.87 55.84 1n9c n SER 44 Cb 0.00 -0.04 -0.08 0.00 -0.75 0.00 0.00 64.21 63.34 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 -1.91 -0.10 0.92 -1.46 0.00 -1.18 -4.92 121.76 113.11 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 0.46 0.15 0.00 0.00 0.00 0.00 23.12 23.93 1n9c s ALA 45 CO 0.31 -0.49 1.12 -1.25 0.00 0.00 0.00 175.76 175.45 1n9c s PRO 46 N -3.87 0.97 -0.15 0.00 0.04 -1.26 -4.27 135.00 126.45 1n9c s PRO 46 Ca 0.06 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.16 1n9c s PRO 46 Cb 0.05 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.82 1n9c s PRO 46 CO -0.11 -2.60 1.69 0.00 0.04 0.00 0.00 177.00 176.02 1n9c s ALA 47 N -2.68 3.38 -1.10 8.56 0.00 -1.26 -4.32 121.76 124.33 1n9c s ALA 47 Ca 0.66 0.70 0.15 0.00 0.00 0.00 0.00 51.96 53.47 1n9c s ALA 47 Cb -0.22 -3.83 -0.06 0.00 0.00 0.00 0.00 23.12 19.01 1n9c s ALA 47 CO 0.58 -1.78 0.73 0.44 0.00 0.00 0.00 175.76 175.73 1n9c n ILE 48 N 6.12 0.00 -0.28 0.00 -6.64 -0.05 -4.49 119.36 114.01 1n9c n ILE 48 Ca 0.19 -0.27 0.01 0.00 -1.77 0.00 0.00 62.75 60.91 1n9c n ILE 48 Cb 0.44 1.11 0.08 0.00 -1.44 0.00 0.00 39.64 39.83 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 1.01 -0.86 -0.05 7.28 3.58 -1.24 0.11 116.42 126.26 1n9c h ASP 49 Ca 0.00 0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1n9c h ASP 49 Cb 0.44 0.53 0.00 0.00 1.72 0.00 0.00 39.33 42.02 1n9c h ASP 49 CO 0.00 -0.27 0.00 2.29 -2.88 0.00 0.00 179.24 178.38 1n9c n LYS 50 N -5.51 1.37 -0.35 0.28 0.00 -1.26 -4.20 118.16 108.49 1n9c n LYS 50 Ca 0.10 -0.54 0.09 0.00 -0.00 0.00 0.00 58.31 57.97 1n9c n LYS 50 Cb 0.40 -1.42 0.27 0.00 -0.00 0.00 0.00 35.03 34.28 1n9c n LYS 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1n9c h ALA 51 N 4.02 1.53 -0.46 0.58 0.00 -1.01 0.21 119.26 124.14 1n9c h ALA 51 Ca 0.00 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.10 1n9c h ALA 51 Cb 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1n9c h ALA 51 CO 0.00 0.07 0.47 0.78 0.00 0.00 0.00 179.25 180.57 1n9c h GLY 52 N 0.85 0.00 0.76 0.00 0.00 -1.66 0.40 103.07 103.42 1n9c h GLY 52 Ca 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.76 1n9c h GLY 52 CO -0.32 0.00 -0.28 0.00 0.00 0.00 0.00 176.54 175.93 1n9c h ALA 53 N 1.50 0.20 0.17 3.60 0.00 -0.86 -3.38 119.26 120.49 1n9c h ALA 53 Ca 0.22 -0.41 -0.24 0.00 0.00 0.00 0.00 54.91 54.48 1n9c h ALA 53 Cb 1.15 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.94 1n9c h ALA 53 CO -0.00 0.21 -1.08 -0.91 0.00 0.00 0.00 179.25 177.46 1n9c h ASN 54 N -0.00 0.57 -3.74 0.00 4.21 -0.82 -3.48 115.58 112.31 1n9c h ASN 54 Ca -0.00 -0.93 -0.38 0.00 1.21 0.00 0.00 56.30 56.19 1n9c h ASN 54 Cb 0.88 -0.18 -0.15 0.00 -1.12 0.00 0.00 38.32 37.75 1n9c h ASN 54 CO 0.06 1.52 -0.73 -0.31 -1.29 0.00 0.00 177.43 176.68 1n9c s TYR 55 N -2.48 1.43 0.45 1.19 2.02 0.11 -5.12 117.35 114.95 1n9c s TYR 55 Ca -0.13 -0.66 0.08 0.00 -0.37 0.00 0.00 57.07 55.99 1n9c s TYR 55 Cb 0.02 -0.71 0.02 0.00 -0.40 0.00 0.00 41.96 40.90 1n9c s TYR 55 CO 0.86 0.18 0.60 0.45 -1.57 0.00 0.00 175.55 176.06 1n9c s SER 56 N -3.08 5.48 0.26 2.29 0.15 -1.26 -3.86 113.70 113.68 1n9c s SER 56 Ca 0.17 -0.55 -0.02 0.00 0.70 0.00 0.00 55.95 56.25 1n9c s SER 56 Cb 0.00 -0.44 0.42 0.00 -1.71 0.00 0.00 66.02 64.30 1n9c s SER 56 CO 0.03 -0.88 1.86 1.05 1.20 0.00 0.00 173.24 176.50 1n9c h GLU 57 N 0.58 1.03 -0.35 5.44 4.11 -1.93 -1.36 114.58 122.11 1n9c h GLU 57 Ca -0.38 -0.06 0.07 0.00 0.07 0.00 0.00 59.36 59.06 1n9c h GLU 57 Cb 1.28 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 30.23 1n9c h GLU 57 CO 0.45 0.68 -0.07 1.05 0.07 0.00 0.00 179.01 181.20 1n9c h GLU 58 N 1.06 0.02 -0.14 1.06 9.09 -1.95 0.25 114.58 123.97 1n9c h GLU 58 Ca 0.43 -0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.83 1n9c h GLU 58 Cb 0.26 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.35 1n9c h GLU 58 CO -0.20 0.01 0.05 0.93 0.05 0.00 0.00 179.01 179.85 1n9c h GLU 59 N 0.02 0.21 -0.18 1.06 5.08 -1.70 -0.22 114.58 118.85 1n9c h GLU 59 Ca 0.17 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1n9c h GLU 59 Cb 0.25 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1n9c h GLU 59 CO -0.34 0.32 0.05 0.82 -1.00 0.00 0.00 179.01 178.86 1n9c h ILE 60 N 0.06 1.20 -0.20 3.13 2.04 -0.92 0.37 117.51 123.19 1n9c h ILE 60 Ca 0.05 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.34 1n9c h ILE 60 Cb 0.19 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 37.47 1n9c h ILE 60 CO -0.00 0.19 -0.43 0.25 0.00 0.00 0.00 178.15 178.16 1n9c h LEU 61 N 0.10 -1.37 -0.47 1.44 5.85 -0.44 0.15 115.31 120.57 1n9c h LEU 61 Ca 0.06 0.19 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1n9c h LEU 61 Cb 0.25 0.57 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1n9c h LEU 61 CO -0.00 -0.42 0.22 0.44 -0.34 0.00 0.00 178.44 178.34 1n9c h ASP 62 N -0.46 0.30 -0.64 1.25 3.32 -0.78 -0.98 116.42 118.44 1n9c h ASP 62 Ca 0.09 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1n9c h ASP 62 Cb 0.62 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1n9c h ASP 62 CO -0.44 0.21 0.42 0.40 -1.72 0.00 0.00 179.24 178.11 1n9c h ILE 63 N 0.43 1.16 -0.26 0.35 2.04 -0.03 0.31 117.51 121.51 1n9c h ILE 63 Ca 0.21 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1n9c h ILE 63 Cb 0.14 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1n9c h ILE 63 CO -0.16 0.16 0.17 0.40 0.00 0.00 0.00 178.15 178.71 1n9c h ILE 64 N 0.86 1.07 -0.50 -0.67 2.04 -0.08 0.40 117.51 120.64 1n9c h ILE 64 Ca 0.23 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 1n9c h ILE 64 Cb -0.10 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1n9c h ILE 64 CO -0.05 0.07 0.07 -0.07 0.00 0.00 0.00 178.15 178.17 1n9c h LEU 65 N 0.35 0.80 0.00 1.44 3.38 -0.63 0.76 115.31 121.41 1n9c h LEU 65 Ca 0.09 -0.27 -0.22 0.00 0.09 0.00 0.00 57.88 57.58 1n9c h LEU 65 Cb -0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1n9c h LEU 65 CO -0.02 0.87 -1.29 0.59 0.09 0.00 0.00 178.44 178.68 1n9c n ASN 66 N -4.40 1.86 0.00 -0.43 3.02 0.10 -2.15 115.26 113.27 1n9c n ASN 66 Ca 0.01 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 1n9c n ASN 66 Cb 0.26 -0.93 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 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 1.44 0.48 3.48 7.41 0.00 0.14 -4.21 105.19 113.93 1n9c n GLY 67 Ca -0.30 -2.20 -0.09 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.50 1.37 -0.41 1.61 2.00 -0.52 -4.42 119.66 118.78 1n9c s GLN 68 Ca 0.00 -1.15 -0.28 0.00 -2.00 0.00 0.00 55.36 51.93 1n9c s GLN 68 Cb 0.00 0.44 -0.30 0.00 0.80 0.00 0.00 33.01 33.96 1n9c s GLN 68 CO 0.00 -0.55 1.77 0.41 -0.50 0.00 0.00 175.29 176.42 1n9c n GLY 69 N -0.31 0.78 0.00 2.59 0.00 -1.26 -0.81 105.19 106.18 1n9c n GLY 69 Ca -0.05 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 5.15 0.83 3.44 -0.02 0.00 -1.26 -5.14 105.19 108.19 1n9c n GLY 70 Ca 0.46 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 3.30 0.18 1.61 0.00 0.01 -5.04 119.30 119.35 1n9c s MET 71 Ca 0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 55.69 55.00 1n9c s MET 71 Cb 0.00 -2.67 0.06 0.00 0.00 0.00 0.00 34.83 32.22 1n9c s MET 71 CO 0.00 0.32 1.52 -1.00 0.00 0.00 0.00 175.02 175.85 1n9c h PRO 72 N 6.40 0.76 0.00 4.11 0.13 -1.90 -1.39 132.00 140.10 1n9c h PRO 72 Ca -0.32 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 1n9c h PRO 72 Cb 1.20 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1n9c h PRO 72 CO 0.57 1.04 0.00 0.41 -0.23 0.00 0.00 178.00 179.78 1n9c n GLY 73 N 0.11 -1.39 3.18 1.56 0.00 -1.26 -4.18 105.19 103.21 1n9c n GLY 73 Ca -0.02 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.61 1.14 0.39 -0.02 0.00 0.26 -4.83 105.19 100.53 1n9c n GLY 74 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 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 0.73 -3.77 -0.61 2.04 -1.88 -3.39 117.51 110.64 1n9c h ILE 75 Ca 0.00 -0.05 -0.26 0.00 1.00 0.00 0.00 64.86 65.55 1n9c h ILE 75 Cb 0.00 0.56 -0.28 0.00 -0.74 0.00 0.00 36.82 36.36 1n9c h ILE 75 CO 0.00 0.03 -0.73 0.00 0.00 0.00 0.00 178.15 177.45 1n9c s ALA 76 N -5.16 0.13 0.04 1.87 0.00 -1.26 -5.05 121.76 112.32 1n9c s ALA 76 Ca -0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.82 1n9c s ALA 76 Cb 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 1n9c s ALA 76 CO 0.75 0.03 0.03 0.15 0.00 0.00 0.00 175.76 176.72 1n9c s LYS 77 N 0.00 0.53 4.88 0.00 -0.14 -1.26 -4.18 119.74 119.57 1n9c s LYS 77 Ca 0.00 -0.85 0.00 0.00 -1.36 0.00 0.00 55.97 53.76 1n9c s LYS 77 Cb -0.01 0.20 0.00 0.00 -1.68 0.00 0.00 37.83 36.34 1n9c s LYS 77 CO -0.00 -0.11 0.00 0.41 -0.76 0.00 0.00 175.35 174.88 1n9c n GLY 78 N 0.78 2.81 0.33 -3.33 0.00 -1.26 -2.21 105.19 102.30 1n9c n GLY 78 Ca -0.19 -0.24 0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.73 1.80 0.18 4.61 0.00 -1.99 0.19 119.26 123.33 1n9c h ALA 79 Ca 0.00 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1n9c h ALA 79 Cb 0.00 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1n9c h ALA 79 CO 0.00 -0.66 -0.31 1.49 0.00 0.00 0.00 179.25 179.77 1n9c h GLU 80 N 0.18 -0.50 -0.64 0.00 4.57 -1.82 0.11 114.58 116.47 1n9c h GLU 80 Ca 0.72 0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.87 1n9c h GLU 80 Cb 1.68 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 30.36 1n9c h GLU 80 CO -0.69 -0.33 0.15 0.00 -1.18 0.00 0.00 179.01 176.95 1n9c h ALA 81 N -1.09 0.85 0.46 2.92 0.00 -0.76 -0.26 119.26 121.37 1n9c h ALA 81 Ca -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1n9c h ALA 81 Cb 0.48 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1n9c h ALA 81 CO -0.11 0.58 -0.42 0.93 0.00 0.00 0.00 179.25 180.23 1n9c h GLU 82 N 0.96 -0.85 -0.21 0.00 5.08 -0.90 0.11 114.58 118.77 1n9c h GLU 82 Ca 0.20 0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.67 1n9c h GLU 82 Cb 0.38 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 1n9c h GLU 82 CO 0.00 -0.57 -0.11 0.00 -1.00 0.00 0.00 179.01 177.34 1n9c h ALA 83 N -0.57 0.06 -0.05 3.43 0.00 -0.61 -0.85 119.26 120.67 1n9c h ALA 83 Ca -0.05 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1n9c h ALA 83 Cb 0.77 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1n9c h ALA 83 CO -0.04 -0.53 -0.38 0.28 0.00 0.00 0.00 179.25 178.58 1n9c h VAL 84 N -0.09 0.00 -0.26 0.00 2.07 -0.84 -0.99 116.25 116.14 1n9c h VAL 84 Ca 0.12 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.70 1n9c h VAL 84 Cb 0.26 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.97 1n9c h VAL 84 CO -0.27 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 177.18 1n9c h ALA 85 N -0.69 0.07 0.33 1.67 0.00 -0.25 0.36 119.26 120.75 1n9c h ALA 85 Ca 0.02 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1n9c h ALA 85 Cb 0.49 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1n9c h ALA 85 CO -0.28 -0.54 -0.30 0.00 0.00 0.00 0.00 179.25 178.13 1n9c h ALA 86 N 1.09 -0.65 -0.99 0.00 0.00 -1.10 0.11 119.26 117.72 1n9c h ALA 86 Ca 0.14 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.11 1n9c h ALA 86 Cb 0.32 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 18.42 1n9c h ALA 86 CO -0.33 -0.89 0.62 2.35 0.00 0.00 0.00 179.25 181.00 1n9c h TRP 87 N -0.65 1.04 -0.30 0.00 7.01 -0.68 -1.11 115.95 121.26 1n9c h TRP 87 Ca -0.02 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 60.87 1n9c h TRP 87 Cb 0.58 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 27.32 1n9c h TRP 87 CO -0.16 0.29 -0.38 -0.07 -2.79 0.00 0.00 178.44 175.33 1n9c h LEU 88 N 0.79 0.85 -2.13 0.65 -0.00 0.51 0.27 115.31 116.25 1n9c h LEU 88 Ca 0.54 -0.49 0.06 0.00 -0.00 0.00 0.00 57.88 57.99 1n9c h LEU 88 Cb 0.81 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 41.22 1n9c h LEU 88 CO -0.32 1.18 0.17 0.00 -0.00 0.00 0.00 178.44 179.46 1n9c h ALA 89 N 0.70 2.01 0.00 1.53 0.00 -0.17 -0.32 119.26 123.01 1n9c h ALA 89 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1n9c h ALA 89 Cb 0.97 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1n9c h ALA 89 CO 0.09 -0.27 -0.54 -1.91 0.00 0.00 0.00 179.25 176.61 1n9c n GLU 90 N -4.16 0.14 0.00 0.00 2.13 -0.48 -4.15 120.64 114.12 1n9c n GLU 90 Ca 0.02 0.04 0.15 0.00 0.66 0.00 0.00 57.16 58.03 1n9c n GLU 90 Cb 0.31 -1.59 0.79 0.00 0.27 0.00 0.00 31.44 31.22 1n9c n GLU 90 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1n9c n LYS 91 N -1.79 1.15 0.00 5.31 3.00 0.83 -5.06 118.16 121.60 1n9c n LYS 91 Ca 0.04 -0.30 0.13 0.00 -0.00 0.00 0.00 58.31 58.18 1n9c n LYS 91 Cb 0.39 -1.49 0.23 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