#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 4.47 -0.00 4.52 1.11 -1.26 -4.90 116.67 120.60 1n9c s ASP 23 Ca 0.00 1.56 -0.00 0.00 0.18 0.00 0.00 52.55 54.29 1n9c s ASP 23 Cb 0.00 -2.31 -0.00 0.00 1.07 0.00 0.00 42.92 41.68 1n9c s ASP 23 CO 0.00 -2.02 -0.00 0.00 1.18 0.00 0.00 175.17 174.33 1n9c n ALA 24 N -3.49 0.24 -0.32 5.23 0.00 -1.26 -4.19 120.51 116.71 1n9c n ALA 24 Ca 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 1n9c n ALA 24 Cb 0.54 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.11 1n9c n ALA 24 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1n9c h GLU 25 N -0.01 1.06 -0.95 0.00 4.11 -1.94 -2.32 114.58 114.53 1n9c h GLU 25 Ca 0.00 -0.06 0.07 0.00 0.07 0.00 0.00 59.36 59.44 1n9c h GLU 25 Cb 0.01 -0.24 -0.06 0.00 0.50 0.00 0.00 28.75 28.96 1n9c h GLU 25 CO 0.00 0.70 0.61 0.00 0.07 0.00 0.00 179.01 180.40 1n9c h ALA 26 N 1.37 1.48 0.26 1.06 0.00 -1.94 0.33 119.26 121.82 1n9c h ALA 26 Ca 0.35 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1n9c h ALA 26 Cb 0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1n9c h ALA 26 CO -0.12 0.37 -0.32 0.28 0.00 0.00 0.00 179.25 179.46 1n9c h VAL 27 N 1.08 0.33 -0.54 0.00 2.07 -1.59 -1.73 116.25 115.86 1n9c h VAL 27 Ca 0.41 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.84 1n9c h VAL 27 Cb 0.21 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1n9c h VAL 27 CO -0.16 0.00 -0.01 0.58 0.02 0.00 0.00 177.57 178.00 1n9c h VAL 28 N -0.64 1.26 0.00 2.57 2.07 -0.25 0.45 116.25 121.71 1n9c h VAL 28 Ca -0.00 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1n9c h VAL 28 Cb 0.60 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1n9c h VAL 28 CO -0.10 0.40 0.00 0.00 0.02 0.00 0.00 177.57 177.90 1n9c n GLN 29 N -4.25 0.00 0.00 1.57 1.13 0.74 -1.33 117.38 115.23 1n9c n GLN 29 Ca 0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 1n9c n GLN 29 Cb 0.34 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.23 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 -0.96 3.23 -0.02 -1.09 7.27 0.18 -4.84 117.38 121.15 1n9c n GLN 30 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.09 1n9c n GLN 30 Cb 0.00 -0.27 -0.09 0.00 2.41 0.00 0.00 30.24 32.29 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 1.00 0.00 3.69 4.01 0.13 -4.80 118.16 122.19 1n9c n LYS 31 Ca 0.00 -0.08 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 1n9c n LYS 31 Cb 0.00 -1.30 0.00 0.00 -0.51 0.00 0.00 35.03 33.22 1n9c n LYS 31 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1n9c h ILE 33 N 0.00 0.46 -0.95 0.00 3.07 -1.44 0.48 117.51 119.13 1n9c h ILE 33 Ca 0.00 -0.01 0.39 0.00 1.55 0.00 0.00 64.86 66.79 1n9c h ILE 33 Cb 0.86 0.42 -0.16 0.00 -0.27 0.00 0.00 36.82 37.67 1n9c h ILE 33 CO 0.00 0.01 0.53 -1.20 -1.05 0.00 0.00 178.15 176.43 1n9c n SER 34 N -4.25 0.31 -0.01 2.16 7.64 -1.26 -0.22 113.62 117.99 1n9c n SER 34 Ca 0.23 1.51 -0.01 0.00 1.01 0.00 0.00 58.87 61.61 1n9c n SER 34 Cb 1.12 -0.74 -0.01 0.00 -1.01 0.00 0.00 64.21 63.58 1n9c n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n9c h HIS 36 N -0.02 0.00 0.00 0.00 3.86 -0.96 0.42 115.15 118.45 1n9c h HIS 36 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1n9c h HIS 36 Cb 1.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.52 1n9c h HIS 36 CO -0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1n9c n GLY 37 N -0.13 -0.58 0.42 2.45 0.00 0.69 -0.44 105.19 107.59 1n9c n GLY 37 Ca 0.01 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.73 1.22 -0.02 0.00 -1.95 0.20 103.07 101.80 1n9c h GLY 38 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 47.33 48.08 1n9c h GLY 38 CO 0.00 -0.01 0.00 1.22 0.00 0.00 0.00 176.54 177.75 1n9c n ASP 39 N -5.30 0.00 -1.42 0.19 9.92 -1.26 -4.87 116.55 113.81 1n9c n ASP 39 Ca 0.02 -0.63 -0.15 0.00 -0.53 0.00 0.00 54.79 53.50 1n9c n ASP 39 Cb 0.29 -0.11 -0.04 0.00 -0.64 0.00 0.00 41.12 40.62 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 -1.11 -1.36 0.00 0.64 4.77 0.71 -4.65 117.00 115.99 1n9c n LEU 40 Ca 0.19 0.22 0.13 0.00 -0.03 0.00 0.00 56.01 56.52 1n9c n LEU 40 Cb 0.15 -2.27 0.63 0.00 -2.33 0.00 0.00 43.42 39.60 1n9c n LEU 40 CO 0.19 -0.54 0.95 0.35 -1.33 0.00 0.00 177.39 177.01 1n9c n THR 41 N -3.16 0.12 -0.06 -5.08 -2.24 -1.22 -0.93 114.28 101.71 1n9c n THR 41 Ca -0.17 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1n9c n THR 41 Cb 0.56 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 1.21 0.70 0.00 3.38 0.00 0.41 -3.95 105.19 106.94 1n9c n GLY 42 Ca 0.09 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.03 0.00 1.36 4.61 0.00 -0.55 -4.61 120.51 121.29 1n9c n ALA 43 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1n9c n ALA 43 Cb 0.01 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 -0.40 1.69 -3.98 0.00 7.64 0.15 -4.89 113.62 113.83 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 63.08 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 0.15 0.99 -0.43 0.00 -1.04 -4.89 121.76 114.61 1n9c s ALA 45 Ca 0.36 -0.95 -0.12 0.00 0.00 0.00 0.00 51.96 51.25 1n9c s ALA 45 Cb 0.20 0.67 0.18 0.00 0.00 0.00 0.00 23.12 24.17 1n9c s ALA 45 CO 0.31 -0.54 1.08 -1.25 0.00 0.00 0.00 175.76 175.36 1n9c s PRO 46 N -3.94 0.48 -0.11 0.00 0.04 -1.26 -4.20 135.00 126.01 1n9c s PRO 46 Ca 0.13 0.95 -0.29 0.00 0.04 0.00 0.00 61.00 61.83 1n9c s PRO 46 Cb 0.05 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.83 1n9c s PRO 46 CO -0.04 -2.81 1.78 0.00 0.04 0.00 0.00 177.00 175.97 1n9c s ALA 47 N -2.74 3.39 -0.61 8.56 0.00 -1.25 -4.16 121.76 124.95 1n9c s ALA 47 Ca 0.66 0.86 0.06 0.00 0.00 0.00 0.00 51.96 53.54 1n9c s ALA 47 Cb -0.21 -3.84 0.01 0.00 0.00 0.00 0.00 23.12 19.08 1n9c s ALA 47 CO 0.60 -1.78 0.53 0.44 0.00 0.00 0.00 175.76 175.55 1n9c n ILE 48 N 6.07 0.00 -0.32 0.00 -6.64 -0.19 -4.49 119.36 113.78 1n9c n ILE 48 Ca 0.20 -0.45 0.10 0.00 -1.77 0.00 0.00 62.75 60.83 1n9c n ILE 48 Cb 0.43 1.08 0.20 0.00 -1.44 0.00 0.00 39.64 39.92 1n9c n ILE 48 CO 0.00 0.00 0.00 -0.90 -1.77 0.00 0.00 176.55 173.88 1n9c n ASP 49 N -0.20 -0.22 -1.19 7.28 5.75 -0.10 -0.63 116.55 127.24 1n9c n ASP 49 Ca 0.03 1.56 0.12 0.00 -0.01 0.00 0.00 54.79 56.49 1n9c n ASP 49 Cb 0.14 -0.52 0.23 0.00 -1.03 0.00 0.00 41.12 39.93 1n9c n ASP 49 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1n9c n LYS 50 N -5.41 2.55 -0.29 0.11 5.02 -1.26 -4.43 118.16 114.44 1n9c n LYS 50 Ca 0.18 -2.35 0.11 0.00 -2.02 0.00 0.00 58.31 54.24 1n9c n LYS 50 Cb 0.58 -1.53 0.26 0.00 -0.02 0.00 0.00 35.03 34.33 1n9c n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n9c h ALA 51 N 4.52 1.22 -0.87 7.82 0.00 -1.10 0.24 119.26 131.10 1n9c h ALA 51 Ca 0.00 0.20 0.25 0.00 0.00 0.00 0.00 54.91 55.36 1n9c h ALA 51 Cb 1.00 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1n9c h ALA 51 CO 0.00 -0.41 0.67 0.78 0.00 0.00 0.00 179.25 180.29 1n9c h GLY 52 N 0.26 0.00 1.00 0.00 0.00 -1.65 0.30 103.07 102.98 1n9c h GLY 52 Ca 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.70 1n9c h GLY 52 CO -0.59 0.00 -0.45 0.00 0.00 0.00 0.00 176.54 175.50 1n9c h ALA 53 N 1.48 0.36 0.11 3.60 0.00 -0.81 -3.37 119.26 120.63 1n9c h ALA 53 Ca 0.41 -0.47 -0.27 0.00 0.00 0.00 0.00 54.91 54.58 1n9c h ALA 53 Cb 1.74 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1n9c h ALA 53 CO -0.00 0.49 -1.36 -0.91 0.00 0.00 0.00 179.25 177.47 1n9c h ASN 54 N 0.41 0.37 -3.41 0.00 2.35 -0.94 -3.48 115.58 110.88 1n9c h ASN 54 Ca 0.01 -0.85 -0.57 0.00 -0.55 0.00 0.00 56.30 54.34 1n9c h ASN 54 Cb 1.05 -0.12 -0.18 0.00 0.05 0.00 0.00 38.32 39.12 1n9c h ASN 54 CO 0.10 1.60 -0.80 -0.31 -1.65 0.00 0.00 177.43 176.37 1n9c s TYR 55 N -2.47 1.99 0.51 1.19 2.02 0.86 -5.13 117.35 116.32 1n9c s TYR 55 Ca -0.20 -0.43 0.03 0.00 -0.37 0.00 0.00 57.07 56.11 1n9c s TYR 55 Cb 0.04 -0.99 0.02 0.00 -0.40 0.00 0.00 41.96 40.64 1n9c s TYR 55 CO 0.76 0.39 0.71 -1.12 -1.57 0.00 0.00 175.55 174.72 1n9c s SER 56 N -2.67 5.41 0.26 2.29 0.01 -1.26 -3.82 113.70 113.91 1n9c s SER 56 Ca 0.17 -0.14 -0.02 0.00 1.31 0.00 0.00 55.95 57.27 1n9c s SER 56 Cb -0.07 -0.82 0.50 0.00 0.21 0.00 0.00 66.02 65.84 1n9c s SER 56 CO 0.08 -1.01 1.76 1.05 0.41 0.00 0.00 173.24 175.53 1n9c h GLU 57 N 0.26 0.58 -0.44 12.44 4.11 -1.92 -0.90 114.58 128.71 1n9c h GLU 57 Ca -0.42 -0.03 0.09 0.00 0.07 0.00 0.00 59.36 59.07 1n9c h GLU 57 Cb 1.29 -0.13 -0.10 0.00 0.50 0.00 0.00 28.75 30.31 1n9c h GLU 57 CO 0.50 0.38 -0.25 1.05 0.07 0.00 0.00 179.01 180.76 1n9c h GLU 58 N 0.60 -0.16 0.37 1.06 4.11 -1.94 0.28 114.58 118.89 1n9c h GLU 58 Ca 0.44 0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.86 1n9c h GLU 58 Cb 0.61 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1n9c h GLU 58 CO -0.36 -0.10 -0.18 0.93 0.07 0.00 0.00 179.01 179.37 1n9c h GLU 59 N -0.16 -0.48 -0.29 1.06 4.39 -1.68 -1.62 114.58 115.80 1n9c h GLU 59 Ca 0.20 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 1n9c h GLU 59 Cb 0.49 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1n9c h GLU 59 CO -0.54 -0.27 0.17 0.82 -1.16 0.00 0.00 179.01 178.03 1n9c h ILE 60 N -0.57 1.11 -0.40 3.13 2.04 -0.64 0.72 117.51 122.90 1n9c h ILE 60 Ca -0.05 -0.26 0.07 0.00 1.00 0.00 0.00 64.86 65.62 1n9c h ILE 60 Cb 0.43 0.76 -0.09 0.00 -0.74 0.00 0.00 36.82 37.18 1n9c h ILE 60 CO 0.08 0.11 -0.41 0.25 0.00 0.00 0.00 178.15 178.18 1n9c h LEU 61 N 0.36 -1.36 -0.33 1.44 5.85 -0.48 0.74 115.31 121.53 1n9c h LEU 61 Ca 0.10 0.21 0.05 0.00 0.84 0.00 0.00 57.88 59.08 1n9c h LEU 61 Cb 0.02 0.60 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1n9c h LEU 61 CO -0.02 -0.36 0.06 -0.78 -0.34 0.00 0.00 178.44 177.00 1n9c h ASP 62 N -0.32 0.01 -0.43 1.25 3.58 -0.25 0.05 116.42 120.30 1n9c h ASP 62 Ca 0.14 0.05 0.05 0.00 0.42 0.00 0.00 57.03 57.70 1n9c h ASP 62 Cb 0.58 0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.66 1n9c h ASP 62 CO -0.56 0.04 0.17 0.40 -2.88 0.00 0.00 179.24 176.40 1n9c h ILE 63 N 0.18 0.89 -0.23 2.25 5.03 -0.01 0.40 117.51 126.00 1n9c h ILE 63 Ca 0.15 -0.12 0.01 0.00 -0.12 0.00 0.00 64.86 64.78 1n9c h ILE 63 Cb 0.17 0.51 -0.01 0.00 -3.03 0.00 0.00 36.82 34.46 1n9c h ILE 63 CO -0.20 0.06 0.14 0.40 -0.68 0.00 0.00 178.15 177.87 1n9c h ILE 64 N 0.34 1.04 0.00 -0.67 2.04 -0.13 0.62 117.51 120.75 1n9c h ILE 64 Ca 0.20 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.89 1n9c h ILE 64 Cb 0.17 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1n9c h ILE 64 CO -0.19 0.05 -0.33 -0.07 0.00 0.00 0.00 178.15 177.61 1n9c h LEU 65 N 0.29 0.00 0.00 1.44 3.38 -0.19 0.11 115.31 120.35 1n9c h LEU 65 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1n9c h LEU 65 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1n9c h LEU 65 CO -0.03 0.33 -0.67 0.59 0.09 0.00 0.00 178.44 178.75 1n9c n ASN 66 N -3.71 1.59 0.00 -0.43 3.02 0.13 -3.59 115.26 112.26 1n9c n ASN 66 Ca -0.01 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1n9c n ASN 66 Cb 0.43 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 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 2.02 0.89 3.54 7.41 0.00 0.21 -4.25 105.19 115.01 1n9c n GLY 67 Ca -0.09 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.68 1.41 0.00 1.61 2.00 -1.19 -4.46 119.66 117.35 1n9c s GLN 68 Ca 0.00 -0.74 0.00 0.00 -2.00 0.00 0.00 55.36 52.62 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 -0.62 0.00 0.41 -0.50 0.00 0.00 175.29 174.58 1n9c n GLY 69 N -0.37 0.00 1.45 2.59 0.00 -1.26 -0.15 105.19 107.45 1n9c n GLY 69 Ca -0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.25 2.45 3.60 -0.02 0.00 -1.26 -4.90 105.19 104.82 1n9c n GLY 70 Ca 0.00 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.16 3.93 0.19 1.61 0.00 0.79 -5.02 119.30 118.63 1n9c s MET 71 Ca 0.39 -0.36 -0.10 0.00 0.00 0.00 0.00 55.69 55.62 1n9c s MET 71 Cb 0.29 -3.26 0.10 0.00 0.00 0.00 0.00 34.83 31.96 1n9c s MET 71 CO 0.13 0.17 1.72 -1.00 0.00 0.00 0.00 175.02 176.04 1n9c h PRO 72 N 7.05 1.06 -0.06 4.11 0.13 -1.91 -3.15 132.00 139.22 1n9c h PRO 72 Ca -0.37 -0.23 0.01 0.00 -0.87 0.00 0.00 66.00 64.54 1n9c h PRO 72 Cb 1.17 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1n9c h PRO 72 CO 0.67 0.92 -0.02 0.41 -0.23 0.00 0.00 178.00 179.75 1n9c n GLY 73 N -0.72 -2.52 2.46 1.56 0.00 -1.26 -4.61 105.19 100.09 1n9c n GLY 73 Ca 0.05 -1.45 -0.17 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.13 1.26 0.22 -0.02 0.00 0.39 -4.85 105.19 100.07 1n9c n GLY 74 Ca -0.00 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 45.88 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 1.12 -3.31 -0.61 2.04 -1.91 -3.42 117.51 111.42 1n9c h ILE 75 Ca -0.36 -0.75 -0.17 0.00 1.00 0.00 0.00 64.86 64.58 1n9c h ILE 75 Cb 1.16 1.41 -0.24 0.00 -0.74 0.00 0.00 36.82 38.40 1n9c h ILE 75 CO 0.51 0.21 -0.48 0.00 0.00 0.00 0.00 178.15 178.39 1n9c s ALA 76 N -4.52 -0.46 0.17 1.87 0.00 -1.26 -5.05 121.76 112.51 1n9c s ALA 76 Ca -0.04 0.36 -0.00 0.00 0.00 0.00 0.00 51.96 52.28 1n9c s ALA 76 Cb 0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1n9c s ALA 76 CO 0.70 -0.13 0.06 0.15 0.00 0.00 0.00 175.76 176.54 1n9c s LYS 77 N -0.36 1.07 4.71 0.00 1.02 -1.26 -4.29 119.74 120.62 1n9c s LYS 77 Ca -0.05 -1.53 0.00 0.00 0.02 0.00 0.00 55.97 54.41 1n9c s LYS 77 Cb -0.03 0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 1n9c s LYS 77 CO 0.01 -0.26 0.00 0.41 -0.92 0.00 0.00 175.35 174.59 1n9c n GLY 78 N -0.20 2.84 0.41 -3.33 0.00 -1.26 -1.80 105.19 101.86 1n9c n GLY 78 Ca -0.04 -0.20 0.26 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.67 2.30 0.58 4.61 0.00 -1.99 0.45 119.26 124.55 1n9c h ALA 79 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1n9c h ALA 79 Cb 0.00 0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1n9c h ALA 79 CO 0.00 -0.78 -0.28 1.49 0.00 0.00 0.00 179.25 179.68 1n9c h GLU 80 N 0.32 -0.76 -0.52 0.00 4.81 -1.72 0.11 114.58 116.84 1n9c h GLU 80 Ca 0.66 0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.82 1n9c h GLU 80 Cb 1.76 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 31.30 1n9c h GLU 80 CO -0.37 -0.49 -0.17 0.00 -0.73 0.00 0.00 179.01 177.26 1n9c h ALA 81 N -0.41 0.72 0.19 2.92 0.00 -1.05 -1.38 119.26 120.25 1n9c h ALA 81 Ca -0.08 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1n9c h ALA 81 Cb 0.61 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1n9c h ALA 81 CO 0.13 0.68 -0.23 0.93 0.00 0.00 0.00 179.25 180.75 1n9c h GLU 82 N 0.90 -0.46 -0.27 0.00 5.08 -0.96 0.12 114.58 118.99 1n9c h GLU 82 Ca 0.13 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 1n9c h GLU 82 Cb 0.75 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.04 1n9c h GLU 82 CO 0.06 -0.30 -0.14 0.00 -1.00 0.00 0.00 179.01 177.63 1n9c h ALA 83 N 0.24 0.07 0.01 3.43 0.00 -0.63 -0.51 119.26 121.88 1n9c h ALA 83 Ca 0.01 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1n9c h ALA 83 Cb 0.46 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1n9c h ALA 83 CO -0.08 -0.54 -0.30 0.28 0.00 0.00 0.00 179.25 178.61 1n9c h VAL 84 N -0.11 0.00 -0.49 0.00 2.07 -1.05 -1.61 116.25 115.06 1n9c h VAL 84 Ca 0.14 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.76 1n9c h VAL 84 Cb 0.32 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.99 1n9c h VAL 84 CO -0.34 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 177.04 1n9c h ALA 85 N -0.92 0.14 0.22 1.67 0.00 -0.05 0.39 119.26 120.71 1n9c h ALA 85 Ca 0.01 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1n9c h ALA 85 Cb 0.40 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1n9c h ALA 85 CO -0.19 -0.56 -0.29 0.00 0.00 0.00 0.00 179.25 178.21 1n9c h ALA 86 N 1.22 -0.57 -0.97 0.00 0.00 -1.08 0.96 119.26 118.82 1n9c h ALA 86 Ca 0.23 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1n9c h ALA 86 Cb 0.47 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1n9c h ALA 86 CO -0.56 -0.86 0.64 2.35 0.00 0.00 0.00 179.25 180.82 1n9c h TRP 87 N -0.57 1.21 -0.37 0.00 7.01 -0.24 -0.06 115.95 122.92 1n9c h TRP 87 Ca 0.01 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 60.91 1n9c h TRP 87 Cb 0.55 -0.41 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 1n9c h TRP 87 CO -0.22 0.73 -0.25 1.25 -2.79 0.00 0.00 178.44 177.16 1n9c h LEU 88 N 1.27 0.86 -1.10 0.65 7.12 0.06 0.32 115.31 124.49 1n9c h LEU 88 Ca 0.37 -0.43 0.07 0.00 0.13 0.00 0.00 57.88 58.02 1n9c h LEU 88 Cb -0.08 -0.24 -0.06 0.00 -0.53 0.00 0.00 40.66 39.75 1n9c h LEU 88 CO -0.10 1.10 0.61 0.00 -0.13 0.00 0.00 178.44 179.93 1n9c h ALA 89 N 0.78 1.49 0.00 1.25 0.00 -0.45 -0.62 119.26 121.71 1n9c h ALA 89 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1n9c h ALA 89 Cb 0.81 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1n9c h ALA 89 CO 0.07 0.35 0.00 1.49 0.00 0.00 0.00 179.25 181.16 1n9c h GLU 90 N 1.06 0.00 0.00 0.00 4.22 -0.01 -3.34 114.58 116.51 1n9c h GLU 90 Ca 0.41 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.85 1n9c h GLU 90 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1n9c h GLU 90 CO -0.17 0.00 0.00 1.17 -2.18 0.00 0.00 179.01 177.83 1n9c n LYS 91 N -2.94 0.59 0.00 1.92 3.00 0.10 -5.07 118.16 115.76 1n9c n LYS 91 Ca 0.02 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.41 1n9c n LYS 91 Cb 0.36 -1.05 0.07 0.00 0.00 0.00 0.00 35.03 34.41 1n9c n LYS 91 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76