#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 5.35 0.16 4.52 1.11 -1.26 -4.80 116.67 121.75 1n9c s ASP 23 Ca 0.00 0.26 -0.20 0.00 0.18 0.00 0.00 52.55 52.78 1n9c s ASP 23 Cb 0.00 -2.53 0.07 0.00 1.07 0.00 0.00 42.92 41.52 1n9c s ASP 23 CO 0.00 -2.33 1.63 0.00 1.18 0.00 0.00 175.17 175.65 1n9c h ALA 24 N 14.50 0.01 -0.48 5.23 0.00 -1.91 0.78 119.26 137.38 1n9c h ALA 24 Ca -0.26 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1n9c h ALA 24 Cb 1.15 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1n9c h ALA 24 CO 1.22 -0.60 0.28 1.05 0.00 0.00 0.00 179.25 181.20 1n9c h GLU 25 N -0.17 0.67 -0.28 0.00 4.11 -1.91 -1.13 114.58 115.87 1n9c h GLU 25 Ca 0.17 -0.07 0.06 0.00 0.07 0.00 0.00 59.36 59.59 1n9c h GLU 25 Cb 0.43 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.48 1n9c h GLU 25 CO -0.43 0.51 -0.15 0.00 0.07 0.00 0.00 179.01 179.01 1n9c h ALA 26 N 1.12 0.06 -0.21 1.06 0.00 -1.30 1.04 119.26 121.03 1n9c h ALA 26 Ca 0.17 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1n9c h ALA 26 Cb 0.03 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1n9c h ALA 26 CO -0.03 -0.55 -0.40 0.28 0.00 0.00 0.00 179.25 178.54 1n9c h VAL 27 N -0.12 0.00 0.00 0.00 2.07 -0.98 -1.19 116.25 116.03 1n9c h VAL 27 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1n9c h VAL 27 Cb 0.35 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1n9c h VAL 27 CO -0.36 0.00 0.00 0.52 0.02 0.00 0.00 177.57 177.75 1n9c n VAL 28 N -4.65 0.00 0.82 2.57 0.31 0.16 0.24 118.33 117.77 1n9c n VAL 28 Ca -0.03 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.41 1n9c n VAL 28 Cb 0.26 -0.43 0.11 0.00 -0.91 0.00 0.00 33.84 32.87 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 -0.88 2.17 0.00 5.55 1.13 0.34 -3.79 117.38 121.90 1n9c n GLN 29 Ca 0.16 -1.91 0.00 0.00 -1.94 0.00 0.00 57.00 53.31 1n9c n GLN 29 Cb 0.07 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 28.98 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 1.29 2.03 -0.06 -1.09 7.27 0.02 -4.86 117.38 121.97 1n9c n GLN 30 Ca 0.14 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 57.09 1n9c n GLN 30 Cb 0.57 -0.17 -0.04 0.00 2.41 0.00 0.00 30.24 33.01 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 0.36 0.09 3.69 4.76 0.14 -4.68 118.16 122.52 1n9c n LYS 31 Ca 0.00 0.15 -0.19 0.00 -2.87 0.00 0.00 58.31 55.40 1n9c n LYS 31 Cb 0.00 -1.12 -0.15 0.00 -1.84 0.00 0.00 35.03 31.92 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 0.09 0.45 -1.41 0.00 3.07 -1.76 0.17 117.51 118.11 1n9c h ILE 33 Ca -0.24 -0.05 0.41 0.00 1.55 0.00 0.00 64.86 66.53 1n9c h ILE 33 Cb 2.06 0.28 -0.06 0.00 -0.27 0.00 0.00 36.82 38.83 1n9c h ILE 33 CO 0.20 0.03 1.05 -1.28 -1.05 0.00 0.00 178.15 177.10 1n9c h SER 34 N 0.16 0.00 0.00 2.16 0.87 -1.83 0.54 113.55 115.45 1n9c h SER 34 Ca 0.58 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.14 1n9c h SER 34 Cb 1.96 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.92 1n9c h SER 34 CO -0.14 0.00 -0.64 0.00 -0.53 0.00 0.00 176.83 175.52 1n9c n HIS 36 N -2.44 0.82 0.00 0.00 8.25 0.39 0.06 115.22 122.30 1n9c n HIS 36 Ca 0.00 0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 1n9c n HIS 36 Cb 0.32 -1.00 0.00 0.00 1.12 0.00 0.00 29.99 30.43 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 0.25 -0.77 0.28 -1.41 0.00 0.18 -0.61 105.19 103.11 1n9c n GLY 37 Ca 0.03 -1.55 0.02 0.00 0.00 0.00 0.00 46.02 44.52 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 0.56 1.40 -0.02 0.00 -1.94 0.12 103.07 103.18 1n9c h GLY 38 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1n9c h GLY 38 CO 0.00 -0.29 -0.17 1.22 0.00 0.00 0.00 176.54 177.29 1n9c n ASP 39 N -5.50 0.27 -0.89 0.19 8.00 -1.26 -4.91 116.55 112.46 1n9c n ASP 39 Ca 0.11 -0.03 -0.11 0.00 0.71 0.00 0.00 54.79 55.47 1n9c n ASP 39 Cb 0.39 -0.16 -0.04 0.00 -0.02 0.00 0.00 41.12 41.30 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 -1.34 -0.89 0.00 0.64 4.77 0.40 -4.70 117.00 115.87 1n9c n LEU 40 Ca 0.09 0.23 0.13 0.00 -0.03 0.00 0.00 56.01 56.42 1n9c n LEU 40 Cb 0.32 -1.73 0.60 0.00 -2.33 0.00 0.00 43.42 40.27 1n9c n LEU 40 CO 0.28 -0.50 0.92 0.35 -1.33 0.00 0.00 177.39 177.12 1n9c n THR 41 N -2.88 0.19 -0.33 -5.08 -2.24 -1.22 -0.93 114.28 101.79 1n9c n THR 41 Ca -0.11 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1n9c n THR 41 Cb 0.39 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 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 1.08 -0.45 0.00 3.38 0.00 0.22 -3.81 105.19 105.61 1n9c n GLY 42 Ca 0.09 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 1.33 4.61 0.00 -0.92 -4.66 120.51 120.84 1n9c n ALA 43 Ca 0.00 0.00 0.12 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 0.43 0.00 0.00 0.00 177.50 177.93 1n9c n SER 44 N -0.77 1.67 -3.98 0.00 7.64 0.11 -4.88 113.62 113.40 1n9c n SER 44 Ca 0.00 -1.62 -0.09 0.00 1.01 0.00 0.00 58.87 58.18 1n9c n SER 44 Cb 0.00 -0.05 -0.08 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 -1.90 0.18 1.00 -0.43 0.00 -1.15 -4.91 121.76 114.55 1n9c s ALA 45 Ca 0.35 -0.95 -0.12 0.00 0.00 0.00 0.00 51.96 51.24 1n9c s ALA 45 Cb 0.19 0.55 0.19 0.00 0.00 0.00 0.00 23.12 24.05 1n9c s ALA 45 CO 0.30 -0.49 1.08 -1.25 0.00 0.00 0.00 175.76 175.40 1n9c s PRO 46 N -3.92 0.44 -0.09 0.00 0.04 -1.26 -4.20 135.00 126.00 1n9c s PRO 46 Ca 0.11 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 61.76 1n9c s PRO 46 Cb 0.06 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.84 1n9c s PRO 46 CO -0.07 -2.83 1.79 0.00 0.04 0.00 0.00 177.00 175.93 1n9c s ALA 47 N -2.75 3.42 -0.85 8.56 0.00 -1.25 -4.10 121.76 124.79 1n9c s ALA 47 Ca 0.66 0.90 0.08 0.00 0.00 0.00 0.00 51.96 53.60 1n9c s ALA 47 Cb -0.21 -3.84 0.02 0.00 0.00 0.00 0.00 23.12 19.09 1n9c s ALA 47 CO 0.60 -1.74 0.63 0.44 0.00 0.00 0.00 175.76 175.68 1n9c n ILE 48 N 5.99 0.00 -0.31 0.00 -6.64 -0.18 -4.50 119.36 113.72 1n9c n ILE 48 Ca 0.20 -0.44 0.14 0.00 -1.77 0.00 0.00 62.75 60.87 1n9c n ILE 48 Cb 0.43 1.12 0.27 0.00 -1.44 0.00 0.00 39.64 40.02 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 -0.06 -0.10 -1.05 7.28 5.75 -0.10 -0.43 116.55 127.83 1n9c n ASP 49 Ca 0.04 1.53 0.12 0.00 -0.01 0.00 0.00 54.79 56.47 1n9c n ASP 49 Cb 0.19 -0.56 0.24 0.00 -1.03 0.00 0.00 41.12 39.95 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 -5.32 2.38 -0.32 0.11 4.76 -1.26 -4.28 118.16 114.23 1n9c n LYS 50 Ca 0.21 -2.08 0.12 0.00 -2.87 0.00 0.00 58.31 53.69 1n9c n LYS 50 Cb 0.70 -1.49 0.34 0.00 -1.84 0.00 0.00 35.03 32.73 1n9c n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n9c h ALA 51 N 4.45 1.74 0.00 7.82 0.00 -0.97 0.21 119.26 132.51 1n9c h ALA 51 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1n9c h ALA 51 Cb 0.91 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1n9c h ALA 51 CO 0.00 -0.03 -0.01 0.78 0.00 0.00 0.00 179.25 179.99 1n9c h GLY 52 N 0.77 0.00 0.36 0.00 0.00 -1.71 0.29 103.07 102.78 1n9c h GLY 52 Ca 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.79 1n9c h GLY 52 CO -0.27 0.00 -0.19 0.00 0.00 0.00 0.00 176.54 176.07 1n9c h ALA 53 N 1.99 0.02 -0.06 3.60 0.00 -0.91 -3.38 119.26 120.51 1n9c h ALA 53 Ca -0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 1n9c h ALA 53 Cb 0.03 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1n9c h ALA 53 CO 0.00 0.05 -0.41 -0.91 0.00 0.00 0.00 179.25 177.98 1n9c h ASN 54 N -0.61 0.45 -2.98 0.00 2.35 -0.89 -3.47 115.58 110.44 1n9c h ASN 54 Ca -0.03 -0.68 -0.57 0.00 -0.55 0.00 0.00 56.30 54.48 1n9c h ASN 54 Cb 0.98 -0.14 -0.16 0.00 0.05 0.00 0.00 38.32 39.06 1n9c h ASN 54 CO 0.04 1.07 -0.78 -0.31 -1.65 0.00 0.00 177.43 175.80 1n9c s TYR 55 N -3.51 2.06 0.58 1.19 2.02 0.10 -5.09 117.35 114.69 1n9c s TYR 55 Ca -0.14 -0.42 -0.03 0.00 -0.37 0.00 0.00 57.07 56.11 1n9c s TYR 55 Cb 0.04 -0.97 0.02 0.00 -0.40 0.00 0.00 41.96 40.66 1n9c s TYR 55 CO 0.79 0.50 0.85 -1.12 -1.57 0.00 0.00 175.55 175.00 1n9c s SER 56 N -3.05 5.38 0.24 2.29 0.01 -1.26 -4.10 113.70 113.20 1n9c s SER 56 Ca 0.23 0.39 -0.05 0.00 1.31 0.00 0.00 55.95 57.83 1n9c s SER 56 Cb -0.05 -1.33 0.45 0.00 0.21 0.00 0.00 66.02 65.30 1n9c s SER 56 CO 0.10 -1.14 1.69 1.05 0.41 0.00 0.00 173.24 175.36 1n9c h GLU 57 N -0.10 0.29 -0.31 12.44 9.09 -1.91 -1.68 114.58 132.39 1n9c h GLU 57 Ca -0.45 -0.02 0.06 0.00 0.05 0.00 0.00 59.36 59.01 1n9c h GLU 57 Cb 1.28 -0.06 -0.05 0.00 -1.65 0.00 0.00 28.75 28.26 1n9c h GLU 57 CO 0.58 0.19 -0.04 1.05 0.05 0.00 0.00 179.01 180.84 1n9c h GLU 58 N 0.29 0.04 0.05 1.06 4.11 -1.94 0.18 114.58 118.38 1n9c h GLU 58 Ca 0.41 -0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.84 1n9c h GLU 58 Cb 0.68 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1n9c h GLU 58 CO -0.49 0.03 -0.07 0.93 0.07 0.00 0.00 179.01 179.48 1n9c h GLU 59 N 0.04 -0.15 0.01 1.06 4.39 -1.73 0.45 114.58 118.66 1n9c h GLU 59 Ca 0.15 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 1n9c h GLU 59 Cb 0.21 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1n9c h GLU 59 CO -0.28 -0.10 -0.00 0.82 -1.16 0.00 0.00 179.01 178.28 1n9c h ILE 60 N -0.16 1.09 -0.35 3.13 2.04 -0.95 0.73 117.51 123.04 1n9c h ILE 60 Ca 0.01 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.63 1n9c h ILE 60 Cb 0.16 1.29 -0.08 0.00 -0.74 0.00 0.00 36.82 37.45 1n9c h ILE 60 CO -0.04 0.08 -0.48 0.25 0.00 0.00 0.00 178.15 177.96 1n9c h LEU 61 N -0.14 -1.58 -0.34 1.44 5.85 -0.57 0.51 115.31 120.47 1n9c h LEU 61 Ca -0.00 0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1n9c h LEU 61 Cb 0.14 0.66 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 1n9c h LEU 61 CO 0.00 -0.40 0.12 -0.78 -0.34 0.00 0.00 178.44 177.04 1n9c h ASP 62 N -0.40 0.14 -0.60 1.25 3.58 -0.53 0.07 116.42 119.92 1n9c h ASP 62 Ca 0.10 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.61 1n9c h ASP 62 Cb 0.61 0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.64 1n9c h ASP 62 CO -0.55 0.12 0.37 0.40 -2.88 0.00 0.00 179.24 176.70 1n9c h ILE 63 N 0.27 1.08 0.02 2.25 2.04 -0.27 0.36 117.51 123.25 1n9c h ILE 63 Ca 0.15 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1n9c h ILE 63 Cb 0.12 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1n9c h ILE 63 CO -0.15 0.13 -0.01 0.40 0.00 0.00 0.00 178.15 178.52 1n9c h ILE 64 N 0.73 1.02 -0.47 -0.67 2.04 -0.24 0.37 117.51 120.29 1n9c h ILE 64 Ca 0.24 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.93 1n9c h ILE 64 Cb 0.01 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1n9c h ILE 64 CO -0.10 0.03 0.04 -0.07 0.00 0.00 0.00 178.15 178.05 1n9c h LEU 65 N -0.08 0.70 0.00 1.44 3.38 -0.32 0.21 115.31 120.65 1n9c h LEU 65 Ca -0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1n9c h LEU 65 Cb 0.07 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1n9c h LEU 65 CO 0.00 0.75 -0.78 0.59 0.09 0.00 0.00 178.44 179.09 1n9c n ASN 66 N -4.25 1.86 0.00 -0.43 3.02 0.12 -2.71 115.26 112.87 1n9c n ASN 66 Ca 0.03 0.51 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 1n9c n ASN 66 Cb 0.27 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 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 1.54 1.96 3.56 7.41 0.00 0.13 -4.36 105.19 115.44 1n9c n GLY 67 Ca -0.12 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 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 0.67 0.21 -0.28 1.61 -0.06 -1.24 -4.85 117.38 113.44 1n9c n GLN 68 Ca 0.00 0.13 -0.07 0.00 -2.00 0.00 0.00 57.00 55.06 1n9c n GLN 68 Cb 0.00 -2.11 -0.07 0.00 -4.06 0.00 0.00 30.24 24.01 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 1.17 -2.12 1.07 1.69 0.00 -1.26 -0.25 105.19 105.48 1n9c n GLY 69 Ca 0.11 0.86 0.04 0.00 0.00 0.00 0.00 46.02 47.03 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 -1.16 1.86 3.30 -0.02 0.00 -1.26 -4.86 105.19 103.05 1n9c n GLY 70 Ca 0.01 -0.44 -0.31 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 -1.79 2.43 0.23 1.61 0.00 0.65 -5.05 119.30 117.39 1n9c s MET 71 Ca 0.27 -0.89 -0.03 0.00 0.00 0.00 0.00 55.69 55.03 1n9c s MET 71 Cb 0.19 -2.15 0.23 0.00 0.00 0.00 0.00 34.83 33.09 1n9c s MET 71 CO 0.10 0.45 1.64 -1.00 0.00 0.00 0.00 175.02 176.22 1n9c h PRO 72 N 5.85 0.71 -0.08 4.11 0.13 -1.89 -3.37 132.00 137.46 1n9c h PRO 72 Ca -0.36 -0.29 0.01 0.00 -0.87 0.00 0.00 66.00 64.49 1n9c h PRO 72 Cb 1.16 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1n9c h PRO 72 CO 0.47 0.88 -0.03 0.41 -0.23 0.00 0.00 178.00 179.51 1n9c n GLY 73 N -0.25 -2.39 2.50 1.56 0.00 -1.26 -4.58 105.19 100.77 1n9c n GLY 73 Ca -0.00 -1.46 -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 -2.23 1.07 0.24 -0.02 0.00 0.75 -4.84 105.19 100.15 1n9c n GLY 74 Ca -0.00 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 1.20 -3.92 -0.61 1.08 -1.88 -3.43 117.51 109.96 1n9c h ILE 75 Ca -0.42 -0.90 -0.22 0.00 -0.39 0.00 0.00 64.86 62.92 1n9c h ILE 75 Cb 1.30 1.24 -0.17 0.00 -3.07 0.00 0.00 36.82 36.12 1n9c h ILE 75 CO 0.57 0.28 -0.71 0.00 -0.69 0.00 0.00 178.15 177.61 1n9c s ALA 76 N -4.67 0.76 0.03 1.87 0.00 -1.26 -5.06 121.76 113.42 1n9c s ALA 76 Ca -0.06 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 50.71 1n9c s ALA 76 Cb 0.15 0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.40 1n9c s ALA 76 CO 0.74 -0.18 0.14 0.21 0.00 0.00 0.00 175.76 176.67 1n9c s LYS 77 N -3.05 0.59 5.80 0.00 2.20 -1.26 -4.46 119.74 119.56 1n9c s LYS 77 Ca 0.03 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.04 1n9c s LYS 77 Cb 0.00 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.56 1n9c s LYS 77 CO -0.04 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1n9c n GLY 78 N 0.97 2.99 0.46 5.54 0.00 -1.26 -2.24 105.19 111.65 1n9c n GLY 78 Ca -0.20 -0.29 0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.90 2.65 0.81 4.61 0.00 -1.99 0.22 119.26 124.67 1n9c h ALA 79 Ca 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1n9c h ALA 79 Cb 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1n9c h ALA 79 CO 0.00 -1.24 -0.48 1.49 0.00 0.00 0.00 179.25 179.02 1n9c h GLU 80 N 0.14 -1.16 -0.58 0.00 4.81 -1.78 0.19 114.58 116.19 1n9c h GLU 80 Ca 0.78 0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.98 1n9c h GLU 80 Cb 2.39 0.26 -0.02 0.00 0.63 0.00 0.00 28.75 32.01 1n9c h GLU 80 CO -0.40 -0.77 -0.06 0.00 -0.73 0.00 0.00 179.01 177.05 1n9c h ALA 81 N -1.23 0.79 -0.19 2.92 0.00 -0.75 -1.11 119.26 119.68 1n9c h ALA 81 Ca -0.11 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1n9c h ALA 81 Cb 0.96 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1n9c h ALA 81 CO 0.12 0.68 0.10 0.93 0.00 0.00 0.00 179.25 181.08 1n9c h GLU 82 N 0.96 0.22 -0.30 0.00 5.08 -0.94 0.13 114.58 119.71 1n9c h GLU 82 Ca 0.16 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.56 1n9c h GLU 82 Cb 0.63 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 1n9c h GLU 82 CO 0.04 0.14 -0.04 0.00 -1.00 0.00 0.00 179.01 178.16 1n9c h ALA 83 N 1.09 0.24 0.18 3.43 0.00 -0.42 -1.63 119.26 122.15 1n9c h ALA 83 Ca 0.08 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1n9c h ALA 83 Cb 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1n9c h ALA 83 CO -0.04 -0.44 -0.47 0.28 0.00 0.00 0.00 179.25 178.57 1n9c h VAL 84 N 0.04 0.08 -0.56 0.00 2.07 -0.68 -1.40 116.25 115.80 1n9c h VAL 84 Ca 0.15 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.76 1n9c h VAL 84 Cb 0.21 0.08 -0.11 0.00 -1.52 0.00 0.00 31.29 29.95 1n9c h VAL 84 CO -0.28 0.00 -0.37 0.00 0.02 0.00 0.00 177.57 176.94 1n9c h ALA 85 N -0.41 -0.17 0.45 1.67 0.00 -0.04 0.38 119.26 121.13 1n9c h ALA 85 Ca -0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1n9c h ALA 85 Cb 0.74 0.85 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1n9c h ALA 85 CO -0.23 -0.74 -0.30 0.00 0.00 0.00 0.00 179.25 177.97 1n9c h ALA 86 N 0.82 -0.73 -0.88 0.00 0.00 -1.27 -0.29 119.26 116.91 1n9c h ALA 86 Ca 0.21 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1n9c h ALA 86 Cb 0.56 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1n9c h ALA 86 CO -0.67 -0.93 0.57 2.35 0.00 0.00 0.00 179.25 180.57 1n9c h TRP 87 N -0.73 1.07 -0.17 0.00 7.01 -0.15 0.32 115.95 123.30 1n9c h TRP 87 Ca -0.05 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.92 1n9c h TRP 87 Cb 0.61 -0.36 -0.00 0.00 -2.10 0.00 0.00 29.16 27.31 1n9c h TRP 87 CO -0.12 0.63 -0.12 1.25 -2.79 0.00 0.00 178.44 177.29 1n9c h LEU 88 N 1.12 0.41 -1.07 0.65 7.12 -0.22 -1.05 115.31 122.27 1n9c h LEU 88 Ca 0.34 -0.44 0.18 0.00 0.13 0.00 0.00 57.88 58.09 1n9c h LEU 88 Cb -0.03 -0.11 -0.10 0.00 -0.53 0.00 0.00 40.66 39.89 1n9c h LEU 88 CO -0.11 0.77 0.62 0.00 -0.13 0.00 0.00 178.44 179.58 1n9c h ALA 89 N 0.66 1.70 0.00 1.25 0.00 -0.67 0.23 119.26 122.42 1n9c h ALA 89 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1n9c h ALA 89 Cb 0.63 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n9c h ALA 89 CO 0.03 -0.04 0.00 1.49 0.00 0.00 0.00 179.25 180.73 1n9c h GLU 90 N 0.77 0.00 -0.04 0.00 4.22 -0.47 -3.36 114.58 115.71 1n9c h GLU 90 Ca 0.55 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.99 1n9c h GLU 90 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1n9c h GLU 90 CO -0.33 0.00 0.00 1.17 -2.18 0.00 0.00 179.01 177.67 1n9c n LYS 91 N -2.77 1.34 0.00 1.92 0.00 0.07 -5.07 118.16 113.65 1n9c n LYS 91 Ca 0.03 -0.50 0.16 0.00 0.00 0.00 0.00 58.31 57.99 1n9c n LYS 91 Cb 0.37 -1.42 0.88 0.00 0.00 0.00 0.00 35.03 34.86 1n9c n LYS 91 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76