#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 0.14 4.52 1.11 -1.26 -4.77 116.67 121.79 1n9c s ASP 23 Ca 0.00 -0.01 -0.20 0.00 0.18 0.00 0.00 52.55 52.52 1n9c s ASP 23 Cb 0.00 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.45 1n9c s ASP 23 CO 0.00 -2.37 1.69 0.00 1.18 0.00 0.00 175.17 175.67 1n9c h ALA 24 N 13.53 0.12 -0.50 5.23 0.00 -1.91 0.27 119.26 136.00 1n9c h ALA 24 Ca -0.17 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1n9c h ALA 24 Cb 1.11 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1n9c h ALA 24 CO 1.23 -0.50 0.31 1.05 0.00 0.00 0.00 179.25 181.34 1n9c h GLU 25 N -0.04 0.68 -0.37 0.00 4.11 -1.92 -1.22 114.58 115.82 1n9c h GLU 25 Ca 0.12 -0.06 0.04 0.00 0.07 0.00 0.00 59.36 59.54 1n9c h GLU 25 Cb 0.22 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1n9c h GLU 25 CO -0.27 0.49 0.12 0.00 0.07 0.00 0.00 179.01 179.42 1n9c h ALA 26 N 1.15 0.43 -0.16 1.06 0.00 -1.42 0.38 119.26 120.70 1n9c h ALA 26 Ca 0.18 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1n9c h ALA 26 Cb -0.02 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1n9c h ALA 26 CO -0.03 -0.27 -0.34 0.28 0.00 0.00 0.00 179.25 178.89 1n9c h VAL 27 N 0.27 0.00 -0.48 0.00 2.07 -0.90 -2.03 116.25 115.19 1n9c h VAL 27 Ca 0.17 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.56 1n9c h VAL 27 Cb 0.15 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1n9c h VAL 27 CO -0.18 0.00 -0.20 0.58 0.02 0.00 0.00 177.57 177.79 1n9c h VAL 28 N -0.30 1.27 0.00 2.57 2.07 0.18 0.52 116.25 122.56 1n9c h VAL 28 Ca 0.03 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.20 1n9c h VAL 28 Cb 0.39 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1n9c h VAL 28 CO -0.31 0.47 0.03 0.00 0.02 0.00 0.00 177.57 177.78 1n9c n GLN 29 N -4.12 0.00 0.00 1.57 1.13 0.12 -0.72 117.38 115.36 1n9c n GLN 29 Ca 0.00 0.16 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 1n9c n GLN 29 Cb 0.44 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 29.26 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 -1.11 0.47 -0.00 -1.09 7.27 0.38 -4.82 117.38 118.48 1n9c n GLN 30 Ca 0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 57.00 57.04 1n9c n GLN 30 Cb 0.03 -0.29 -0.00 0.00 2.41 0.00 0.00 30.24 32.38 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 -0.08 3.10 -0.04 3.69 4.76 0.16 -4.82 118.16 124.94 1n9c n LYS 31 Ca 0.00 -0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.39 1n9c n LYS 31 Cb 0.10 -1.01 -0.04 0.00 -1.84 0.00 0.00 35.03 32.24 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 0.57 -0.86 0.00 3.07 -1.58 0.14 117.51 118.85 1n9c h ILE 33 Ca -0.16 -0.02 0.34 0.00 1.55 0.00 0.00 64.86 66.56 1n9c h ILE 33 Cb 1.28 0.51 -0.16 0.00 -0.27 0.00 0.00 36.82 38.18 1n9c h ILE 33 CO -0.02 0.01 0.37 -1.20 -1.05 0.00 0.00 178.15 176.27 1n9c n SER 34 N -4.31 0.22 0.00 2.16 7.64 -1.26 -0.27 113.62 117.80 1n9c n SER 34 Ca 0.19 1.44 0.00 0.00 1.01 0.00 0.00 58.87 61.50 1n9c n SER 34 Cb 0.92 -0.66 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 -2.53 0.00 0.00 0.00 8.25 0.26 0.15 115.22 121.35 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 0.49 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 0.85 -2.32 0.40 -1.41 0.00 0.62 -0.16 105.19 103.16 1n9c n GLY 37 Ca 0.07 -1.41 -0.07 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.43 0.99 -0.02 0.00 -1.95 0.18 103.07 101.84 1n9c h GLY 38 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.95 1n9c h GLY 38 CO 0.00 -0.12 -0.01 1.22 0.00 0.00 0.00 176.54 177.63 1n9c n ASP 39 N -5.39 0.19 -0.87 0.19 8.00 -1.26 -4.88 116.55 112.53 1n9c n ASP 39 Ca 0.04 -0.80 -0.10 0.00 0.71 0.00 0.00 54.79 54.64 1n9c n ASP 39 Cb 0.34 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 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 -0.96 -0.92 0.00 0.64 4.77 0.65 -4.62 117.00 116.56 1n9c n LEU 40 Ca 0.20 0.18 0.14 0.00 -0.03 0.00 0.00 56.01 56.50 1n9c n LEU 40 Cb 0.18 -1.65 0.67 0.00 -2.33 0.00 0.00 43.42 40.29 1n9c n LEU 40 CO 0.20 -0.41 0.97 0.35 -1.33 0.00 0.00 177.39 177.17 1n9c n THR 41 N -3.06 0.05 -0.35 -5.08 -2.24 -1.16 -0.60 114.28 101.85 1n9c n THR 41 Ca -0.11 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1n9c n THR 41 Cb 0.40 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 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 1.29 -0.50 0.01 3.38 0.00 0.77 -3.87 105.19 106.27 1n9c n GLY 42 Ca 0.10 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.79 0.19 1.25 4.61 0.00 -1.06 -4.72 120.51 121.57 1n9c n ALA 43 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.55 1n9c n ALA 43 Cb 0.00 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.53 1.95 -4.05 0.00 7.64 0.12 -4.90 113.62 112.85 1n9c n SER 44 Ca 0.00 -1.68 -0.08 0.00 1.01 0.00 0.00 58.87 58.13 1n9c n SER 44 Cb 0.00 -0.05 -0.09 0.00 -1.01 0.00 0.00 64.21 63.06 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 -1.91 0.40 0.97 -0.43 0.00 -0.91 -4.92 121.76 114.97 1n9c s ALA 45 Ca 0.35 -1.12 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 1n9c s ALA 45 Cb 0.20 0.39 0.17 0.00 0.00 0.00 0.00 23.12 23.88 1n9c s ALA 45 CO 0.31 -0.42 1.09 -1.25 0.00 0.00 0.00 175.76 175.49 1n9c s PRO 46 N -3.92 0.63 0.02 0.00 0.04 -1.26 -4.22 135.00 126.29 1n9c s PRO 46 Ca 0.09 1.03 -0.30 0.00 0.04 0.00 0.00 61.00 61.85 1n9c s PRO 46 Cb 0.07 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.81 1n9c s PRO 46 CO -0.09 -2.73 1.78 0.00 0.04 0.00 0.00 177.00 176.00 1n9c s ALA 47 N -2.73 3.63 -0.40 8.56 0.00 -1.25 -4.15 121.76 125.43 1n9c s ALA 47 Ca 0.66 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.83 1n9c s ALA 47 Cb -0.21 -3.77 0.03 0.00 0.00 0.00 0.00 23.12 19.17 1n9c s ALA 47 CO 0.59 -1.37 0.64 0.44 0.00 0.00 0.00 175.76 176.06 1n9c n ILE 48 N 5.26 0.09 0.25 0.00 -6.64 0.23 -4.59 119.36 113.95 1n9c n ILE 48 Ca 0.18 -0.54 0.18 0.00 -1.77 0.00 0.00 62.75 60.79 1n9c n ILE 48 Cb 0.41 1.02 0.86 0.00 -1.44 0.00 0.00 39.64 40.49 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 0.64 0.00 -0.10 7.28 2.03 -1.16 0.16 116.42 125.26 1n9c h ASP 49 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1n9c h ASP 49 Cb 0.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.67 1n9c h ASP 49 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 1n9c n LYS 50 N -3.36 1.98 0.16 4.15 4.01 -1.26 -4.38 118.16 119.46 1n9c n LYS 50 Ca 0.01 -1.83 0.10 0.00 -0.51 0.00 0.00 58.31 56.08 1n9c n LYS 50 Cb 0.37 -1.41 0.62 0.00 -0.51 0.00 0.00 35.03 34.10 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 4.02 2.06 -0.00 7.82 0.00 -0.94 0.37 119.26 132.59 1n9c h ALA 51 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1n9c h ALA 51 Cb 0.87 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1n9c h ALA 51 CO 0.00 -0.09 -0.10 0.78 0.00 0.00 0.00 179.25 179.84 1n9c h GLY 52 N 0.09 0.00 0.55 0.00 0.00 -1.73 0.26 103.07 102.24 1n9c h GLY 52 Ca 0.08 -0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.29 1n9c h GLY 52 CO -0.01 0.00 -0.48 0.00 0.00 0.00 0.00 176.54 176.05 1n9c h ALA 53 N 1.90 0.00 -0.16 3.60 0.00 -0.64 -3.40 119.26 120.57 1n9c h ALA 53 Ca -0.00 -0.57 -0.15 0.00 0.00 0.00 0.00 54.91 54.19 1n9c h ALA 53 Cb 0.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1n9c h ALA 53 CO 0.01 0.23 -0.49 -0.91 0.00 0.00 0.00 179.25 178.09 1n9c h ASN 54 N -0.42 0.70 -2.21 0.00 4.21 -0.81 -3.46 115.58 113.58 1n9c h ASN 54 Ca -0.07 -0.60 -0.57 0.00 1.21 0.00 0.00 56.30 56.27 1n9c h ASN 54 Cb 1.28 -0.20 -0.13 0.00 -1.12 0.00 0.00 38.32 38.14 1n9c h ASN 54 CO 0.09 1.18 -0.57 -0.31 -1.29 0.00 0.00 177.43 176.53 1n9c s TYR 55 N -3.86 2.05 0.49 1.19 2.02 0.89 -5.08 117.35 115.06 1n9c s TYR 55 Ca -0.12 -0.95 0.08 0.00 -0.37 0.00 0.00 57.07 55.71 1n9c s TYR 55 Cb 0.07 -1.46 0.03 0.00 -0.40 0.00 0.00 41.96 40.20 1n9c s TYR 55 CO 0.84 0.11 0.53 0.45 -1.57 0.00 0.00 175.55 175.91 1n9c s SER 56 N -3.65 5.06 0.19 2.29 0.15 -1.26 -4.22 113.70 112.26 1n9c s SER 56 Ca 0.27 -0.84 -0.12 0.00 0.70 0.00 0.00 55.95 55.96 1n9c s SER 56 Cb 0.06 -0.10 0.13 0.00 -1.71 0.00 0.00 66.02 64.40 1n9c s SER 56 CO 0.13 -0.97 1.84 1.05 1.20 0.00 0.00 173.24 176.49 1n9c h GLU 57 N 0.66 0.76 -0.31 5.44 -0.00 -1.91 -1.27 114.58 117.95 1n9c h GLU 57 Ca -0.37 -0.05 0.07 0.00 -0.00 0.00 0.00 59.36 59.01 1n9c h GLU 57 Cb 1.28 -0.17 -0.07 0.00 -0.00 0.00 0.00 28.75 29.80 1n9c h GLU 57 CO 0.51 0.51 -0.12 1.05 -0.00 0.00 0.00 179.01 180.96 1n9c h GLU 58 N 0.79 -0.05 0.18 1.06 4.11 -1.96 0.21 114.58 118.92 1n9c h GLU 58 Ca 0.24 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.67 1n9c h GLU 58 Cb -0.03 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1n9c h GLU 58 CO -0.08 -0.04 -0.09 0.93 0.07 0.00 0.00 179.01 179.81 1n9c h GLU 59 N -0.06 -0.23 0.06 1.06 5.08 -1.81 0.55 114.58 119.23 1n9c h GLU 59 Ca 0.16 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1n9c h GLU 59 Cb 0.30 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1n9c h GLU 59 CO -0.35 -0.10 -0.10 0.82 -1.00 0.00 0.00 179.01 178.28 1n9c h ILE 60 N -0.31 0.75 -0.23 3.13 2.04 -0.93 0.71 117.51 122.67 1n9c h ILE 60 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 1n9c h ILE 60 Cb 0.24 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 1n9c h ILE 60 CO 0.04 0.00 -0.40 0.25 0.00 0.00 0.00 178.15 178.04 1n9c h LEU 61 N -0.21 -1.28 -0.18 1.44 5.85 -0.49 0.24 115.31 120.68 1n9c h LEU 61 Ca 0.02 0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.95 1n9c h LEU 61 Cb 0.22 0.54 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1n9c h LEU 61 CO -0.06 -0.39 0.02 -0.78 -0.34 0.00 0.00 178.44 176.89 1n9c h ASP 62 N -0.41 -0.02 -0.67 1.25 3.58 -0.45 0.66 116.42 120.35 1n9c h ASP 62 Ca 0.10 0.03 0.06 0.00 0.42 0.00 0.00 57.03 57.65 1n9c h ASP 62 Cb 0.60 0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.64 1n9c h ASP 62 CO -0.45 0.01 0.37 0.40 -2.88 0.00 0.00 179.24 176.69 1n9c h ILE 63 N 0.09 0.95 0.12 2.25 2.04 -0.29 0.41 117.51 123.08 1n9c h ILE 63 Ca 0.08 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1n9c h ILE 63 Cb 0.09 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1n9c h ILE 63 CO -0.12 0.12 -0.06 0.40 0.00 0.00 0.00 178.15 178.49 1n9c h ILE 64 N 0.67 0.98 0.00 -0.67 2.04 -0.37 0.38 117.51 120.54 1n9c h ILE 64 Ca 0.31 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1n9c h ILE 64 Cb 0.21 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1n9c h ILE 64 CO -0.20 0.10 -0.15 -0.07 0.00 0.00 0.00 178.15 177.83 1n9c h LEU 65 N -0.35 0.00 0.00 1.44 3.38 0.01 0.19 115.31 119.98 1n9c h LEU 65 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1n9c h LEU 65 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1n9c h LEU 65 CO 0.03 0.15 -0.64 0.59 0.09 0.00 0.00 178.44 178.66 1n9c n ASN 66 N -3.67 1.39 0.00 -0.43 3.02 0.14 -3.77 115.26 111.93 1n9c n ASN 66 Ca -0.02 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1n9c n ASN 66 Cb 0.27 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 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 1.81 2.47 3.62 7.41 0.00 0.13 -4.28 105.19 116.36 1n9c n GLY 67 Ca -0.09 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 1n9c n GLY 67 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1n9c n GLN 68 N 0.04 0.40 -0.24 1.61 -0.06 -1.22 -4.86 117.38 113.05 1n9c n GLN 68 Ca 0.00 0.20 -0.06 0.00 -2.00 0.00 0.00 57.00 55.14 1n9c n GLN 68 Cb 0.00 -2.26 -0.06 0.00 -4.06 0.00 0.00 30.24 23.86 1n9c n GLN 68 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1n9c n GLY 69 N 0.99 -2.17 1.21 1.69 0.00 -1.26 -0.26 105.19 105.39 1n9c n GLY 69 Ca 0.13 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.96 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 -1.14 2.36 3.09 -0.02 0.00 -1.26 -4.84 105.19 103.38 1n9c n GLY 70 Ca 0.01 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.71 1.81 0.28 1.61 0.00 0.65 -5.06 119.30 116.88 1n9c s MET 71 Ca 0.24 -0.54 0.00 0.00 0.00 0.00 0.00 55.69 55.40 1n9c s MET 71 Cb 0.19 -1.52 0.41 0.00 0.00 0.00 0.00 34.83 33.91 1n9c s MET 71 CO 0.07 0.15 1.78 -1.00 0.00 0.00 0.00 175.02 176.01 1n9c h PRO 72 N 6.56 0.66 0.00 4.11 0.13 -1.88 -3.35 132.00 138.22 1n9c h PRO 72 Ca -0.31 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1n9c h PRO 72 Cb 1.18 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1n9c h PRO 72 CO 0.48 0.72 0.00 0.41 -0.23 0.00 0.00 178.00 179.38 1n9c n GLY 73 N -0.64 -2.30 2.45 1.56 0.00 -1.26 -4.60 105.19 100.40 1n9c n GLY 73 Ca 0.02 -1.48 -0.20 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.90 0.32 0.20 -0.02 0.00 0.67 -4.85 105.19 99.62 1n9c n GLY 74 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 1.22 -3.81 -0.61 2.04 -1.92 -3.42 117.51 111.02 1n9c h ILE 75 Ca -0.45 -1.06 -0.19 0.00 1.00 0.00 0.00 64.86 64.16 1n9c h ILE 75 Cb 1.34 1.53 -0.24 0.00 -0.74 0.00 0.00 36.82 38.71 1n9c h ILE 75 CO 0.58 0.31 -0.68 0.00 0.00 0.00 0.00 178.15 178.35 1n9c s ALA 76 N -4.38 0.00 0.05 1.87 0.00 -1.26 -5.05 121.76 113.00 1n9c s ALA 76 Ca -0.04 -0.26 -0.08 0.00 0.00 0.00 0.00 51.96 51.59 1n9c s ALA 76 Cb 0.15 0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.33 1n9c s ALA 76 CO 0.72 -0.10 0.15 0.15 0.00 0.00 0.00 175.76 176.69 1n9c s LYS 77 N -0.80 0.69 5.15 0.00 1.02 -1.26 -4.36 119.74 120.18 1n9c s LYS 77 Ca -0.09 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.14 1n9c s LYS 77 Cb -0.05 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.53 1n9c s LYS 77 CO -0.00 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.64 1n9c n GLY 78 N 0.54 2.14 0.42 -3.33 0.00 -1.26 -3.00 105.19 100.69 1n9c n GLY 78 Ca -0.18 -0.49 0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.93 2.53 0.24 4.61 0.00 -1.99 0.24 119.26 123.95 1n9c h ALA 79 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1n9c h ALA 79 Cb 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1n9c h ALA 79 CO 0.00 -1.21 -0.30 1.49 0.00 0.00 0.00 179.25 179.23 1n9c h GLU 80 N 0.08 -0.54 -0.65 0.00 4.81 -1.88 0.72 114.58 117.12 1n9c h GLU 80 Ca 0.83 0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 60.01 1n9c h GLU 80 Cb 2.45 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 31.92 1n9c h GLU 80 CO -0.54 -0.36 0.06 0.00 -0.73 0.00 0.00 179.01 177.45 1n9c h ALA 81 N -1.18 0.87 -0.28 2.92 0.00 -0.74 -0.41 119.26 120.45 1n9c h ALA 81 Ca -0.03 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.65 1n9c h ALA 81 Cb 0.50 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1n9c h ALA 81 CO -0.07 0.67 -0.17 0.93 0.00 0.00 0.00 179.25 180.61 1n9c h GLU 82 N 1.02 -0.14 -0.16 0.00 5.08 -1.01 0.14 114.58 119.51 1n9c h GLU 82 Ca 0.19 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1n9c h GLU 82 Cb 0.50 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1n9c h GLU 82 CO 0.02 -0.10 0.11 0.00 -1.00 0.00 0.00 179.01 178.04 1n9c h ALA 83 N 1.03 0.20 -0.17 3.43 0.00 -0.52 -2.61 119.26 120.63 1n9c h ALA 83 Ca 0.15 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1n9c h ALA 83 Cb 0.37 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1n9c h ALA 83 CO -0.37 -0.31 -0.45 0.28 0.00 0.00 0.00 179.25 178.40 1n9c h VAL 84 N 0.21 0.10 -0.12 0.00 2.07 -0.29 -0.58 116.25 117.65 1n9c h VAL 84 Ca 0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.62 1n9c h VAL 84 Cb -0.02 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 29.79 1n9c h VAL 84 CO -0.01 0.00 -0.38 0.00 0.02 0.00 0.00 177.57 177.20 1n9c h ALA 85 N 0.05 -0.50 0.17 1.67 0.00 -0.53 0.25 119.26 120.36 1n9c h ALA 85 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1n9c h ALA 85 Cb 0.64 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1n9c h ALA 85 CO -0.43 -0.87 -0.19 0.00 0.00 0.00 0.00 179.25 177.76 1n9c h ALA 86 N 0.24 -0.36 0.04 0.00 0.00 -1.36 0.47 119.26 118.28 1n9c h ALA 86 Ca 0.08 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1n9c h ALA 86 Cb 0.60 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1n9c h ALA 86 CO -0.37 -0.73 -0.26 2.35 0.00 0.00 0.00 179.25 180.24 1n9c h TRP 87 N -0.40 -0.69 -0.50 0.00 7.01 -0.52 0.19 115.95 121.05 1n9c h TRP 87 Ca 0.01 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.07 1n9c h TRP 87 Cb 0.39 0.30 -0.04 0.00 -2.10 0.00 0.00 29.16 27.71 1n9c h TRP 87 CO -0.16 -0.35 0.27 1.25 -2.79 0.00 0.00 178.44 176.66 1n9c h LEU 88 N -0.42 0.40 -2.45 0.65 7.12 -0.43 0.46 115.31 120.64 1n9c h LEU 88 Ca 0.05 0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.08 1n9c h LEU 88 Cb 0.48 -0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 40.56 1n9c h LEU 88 CO -0.20 0.28 -0.02 0.00 -0.13 0.00 0.00 178.44 178.36 1n9c h ALA 89 N 1.26 1.37 0.00 1.25 0.00 -0.33 -0.30 119.26 122.50 1n9c h ALA 89 Ca 0.21 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1n9c h ALA 89 Cb 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1n9c h ALA 89 CO -0.14 0.03 -1.05 1.49 0.00 0.00 0.00 179.25 179.59 1n9c h GLU 90 N 0.00 0.00 0.00 0.00 4.22 0.14 -3.40 114.58 115.54 1n9c h GLU 90 Ca -0.00 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.36 1n9c h GLU 90 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1n9c h GLU 90 CO 0.00 0.14 -0.37 -0.22 -2.18 0.00 0.00 179.01 176.38 1n9c h LYS 91 N 0.00 0.00 0.00 1.92 3.11 0.17 -3.51 116.57 118.26 1n9c h LYS 91 Ca -0.06 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1n9c h LYS 91 Cb 1.24 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.47 1n9c h LYS 91 CO 0.02 0.37 0.00 0.36 -2.81 0.00 0.00 179.45 177.39