#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zzs s ASP 23 N 0.00 5.54 0.43 1.61 -1.08 -1.26 -4.89 116.67 117.02 2zzs s ASP 23 Ca 0.00 -1.97 0.15 0.00 -0.52 0.00 0.00 52.55 50.21 2zzs s ASP 23 Cb 0.00 -1.95 1.04 0.00 -1.46 0.00 0.00 42.92 40.56 2zzs s ASP 23 CO 0.00 -0.64 1.95 0.00 0.52 0.00 0.00 175.17 177.00 2zzs h ALA 24 N 8.29 2.07 0.06 3.66 0.00 -1.87 0.91 119.26 132.38 2zzs h ALA 24 Ca -0.18 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.48 2zzs h ALA 24 Cb 1.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2zzs h ALA 24 CO 0.80 -0.23 -1.06 0.00 0.00 0.00 0.00 179.25 178.76 2zzs h ALA 25 N 1.67 0.28 -0.42 0.00 0.00 -1.92 0.31 119.26 119.17 2zzs h ALA 25 Ca 0.32 -0.80 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 2zzs h ALA 25 Cb 0.69 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2zzs h ALA 25 CO -0.09 0.93 -0.24 0.00 0.00 0.00 0.00 179.25 179.84 2zzs h ALA 26 N 0.73 0.78 -0.30 0.00 0.00 -1.72 -2.27 119.26 116.48 2zzs h ALA 26 Ca -0.09 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.44 2zzs h ALA 26 Cb 1.75 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 2zzs h ALA 26 CO 0.17 0.65 0.18 0.78 0.00 0.00 0.00 179.25 181.04 2zzs h GLY 27 N 0.92 0.42 0.37 0.00 0.00 -0.66 -2.34 103.07 101.78 2zzs h GLY 27 Ca 0.10 -0.14 0.08 0.00 0.00 0.00 0.00 47.33 47.37 2zzs h GLY 27 CO 0.07 0.13 0.12 -1.61 0.00 0.00 0.00 176.54 175.24 2zzs h GLN 28 N 0.37 0.26 -0.56 4.80 -0.00 -0.02 -1.16 115.11 118.80 2zzs h GLN 28 Ca 0.12 -0.02 0.05 0.00 -0.00 0.00 0.00 58.65 58.80 2zzs h GLN 28 Cb -0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 27.48 27.36 2zzs h GLN 28 CO -0.05 0.17 0.29 0.00 0.00 0.00 0.00 178.83 179.24 2zzs h ALA 29 N 1.39 0.73 0.00 3.38 0.00 -1.31 -2.66 119.26 120.80 2zzs h ALA 29 Ca 0.26 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 2zzs h ALA 29 Cb 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2zzs h ALA 29 CO -0.32 -0.06 -0.39 -0.22 0.00 0.00 0.00 179.25 178.26 2zzs h LYS 30 N 0.54 0.00 0.00 0.00 1.63 -0.79 -3.27 116.57 114.68 2zzs h LYS 30 Ca 0.25 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 2zzs h LYS 30 Cb 0.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 2zzs h LYS 30 CO -0.18 0.39 0.00 0.00 -3.45 0.00 0.00 179.45 176.21 2zzs n ALA 31 N -2.36 1.90 -0.43 5.00 0.00 -0.51 -2.32 120.51 121.80 2zzs n ALA 31 Ca -0.01 -0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.79 2zzs n ALA 31 Cb 0.47 -1.38 0.64 0.00 0.00 0.00 0.00 19.45 19.18 2zzs n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2zzs h ALA 32 N 2.50 2.62 0.00 0.00 0.00 -1.69 0.41 119.26 123.10 2zzs h ALA 32 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2zzs h ALA 32 Cb 0.44 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2zzs h ALA 32 CO 0.00 -1.30 0.00 1.33 0.00 0.00 0.00 179.25 179.28 2zzs n VAL 33 N -4.82 0.58 0.88 0.00 0.24 -0.98 -3.07 118.33 111.15 2zzs n VAL 33 Ca 0.38 -0.19 0.11 0.00 -2.04 0.00 0.00 64.34 62.60 2zzs n VAL 33 Cb 1.42 -0.66 -0.04 0.00 -1.47 0.00 0.00 33.84 33.09 2zzs n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2zzs h ALA 35 N 2.88 1.06 0.00 0.00 0.00 -1.35 -1.16 119.26 120.69 2zzs h ALA 35 Ca 0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 2zzs h ALA 35 Cb 0.56 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2zzs h ALA 35 CO 0.00 0.40 -0.46 0.00 0.00 0.00 0.00 179.25 179.19 2zzs h ALA 36 N 1.68 1.08 0.00 0.00 0.00 -1.80 -0.34 119.26 119.87 2zzs h ALA 36 Ca -0.00 -0.42 -0.38 0.00 0.00 0.00 0.00 54.91 54.11 2zzs h ALA 36 Cb 0.79 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 2zzs h ALA 36 CO 0.04 0.58 -2.42 0.00 0.00 0.00 0.00 179.25 177.45 2zzs n HIS 38 N -3.28 0.00 0.00 0.00 -0.00 -0.46 -4.56 115.22 106.92 2zzs n HIS 38 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.28 2zzs n HIS 38 Cb 0.96 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.94 2zzs n HIS 38 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2zzs n GLY 39 N 1.37 -0.65 0.37 -1.41 0.00 -0.14 -1.76 105.19 102.97 2zzs n GLY 39 Ca 0.12 -1.48 0.10 0.00 0.00 0.00 0.00 46.02 44.75 2zzs n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zzs h ALA 40 N 0.00 1.70 -0.42 4.61 0.00 -1.80 -1.55 119.26 121.79 2zzs h ALA 40 Ca 0.00 0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 2zzs h ALA 40 Cb 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 17.79 17.48 2zzs h ALA 40 CO 0.00 0.06 -0.10 -3.47 0.00 0.00 0.00 179.25 175.75 2zzs n ASP 41 N -4.58 2.87 0.00 0.00 4.64 -1.26 -4.93 116.55 113.29 2zzs n ASP 41 Ca 0.18 -3.80 0.00 0.00 -1.38 0.00 0.00 54.79 49.79 2zzs n ASP 41 Cb 0.41 -0.63 0.00 0.00 -1.04 0.00 0.00 41.12 39.85 2zzs n ASP 41 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2zzs n GLY 42 N -1.09 0.63 3.49 0.27 0.00 -0.58 -4.60 105.19 103.30 2zzs n GLY 42 Ca 0.36 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.01 2zzs n GLY 42 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2zzs s ASN 43 N -2.47 5.38 0.42 1.61 0.02 -0.72 -0.31 114.94 118.87 2zzs s ASN 43 Ca 0.00 -0.14 -0.15 0.00 -1.02 0.00 0.00 52.86 51.55 2zzs s ASN 43 Cb 0.00 -1.97 -0.08 0.00 0.02 0.00 0.00 41.25 39.21 2zzs s ASN 43 CO 0.00 -0.02 0.85 0.00 0.02 0.00 0.00 177.10 177.95 2zzs s ALA 44 N 1.57 3.21 -0.00 0.60 0.00 -1.16 -3.85 121.76 122.13 2zzs s ALA 44 Ca 0.06 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.11 2zzs s ALA 44 Cb -0.15 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 2zzs s ALA 44 CO 0.05 0.04 0.04 -2.37 0.00 0.00 0.00 175.76 173.52 2zzs n THR 45 N -1.02 0.01 -2.31 0.00 5.66 -1.26 -4.88 114.28 110.48 2zzs n THR 45 Ca 0.05 -0.05 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 2zzs n THR 45 Cb 0.54 0.35 -0.03 0.00 -1.55 0.00 0.00 70.33 69.64 2zzs n THR 45 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2zzs s ILE 46 N -2.12 3.68 0.33 1.09 1.01 -1.26 -4.96 121.20 118.96 2zzs s ILE 46 Ca -0.01 1.22 -0.29 0.00 0.00 0.00 0.00 60.65 61.58 2zzs s ILE 46 Cb 0.01 -3.78 -0.11 0.00 0.01 0.00 0.00 42.46 38.59 2zzs s ILE 46 CO 0.08 0.11 1.44 -2.84 0.00 0.00 0.00 174.94 173.72 2zzs s PRO 47 N 0.93 4.21 0.00 2.79 0.02 -1.26 -1.78 135.00 139.90 2zzs s PRO 47 Ca 0.60 2.42 0.00 0.00 0.02 0.00 0.00 61.00 64.05 2zzs s PRO 47 Cb -0.33 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.16 2zzs s PRO 47 CO 0.31 -0.42 0.00 0.41 -0.33 0.00 0.00 177.00 176.97 2zzs n GLY 48 N 1.03 1.51 3.82 0.52 0.00 -1.26 -5.04 105.19 105.76 2zzs n GLY 48 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2zzs n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2zzs s TYR 49 N -2.32 3.58 0.19 1.61 1.51 -0.74 -5.07 117.35 116.10 2zzs s TYR 49 Ca 0.00 0.65 -0.25 0.00 -1.01 0.00 0.00 57.07 56.46 2zzs s TYR 49 Cb 0.00 -2.15 -0.08 0.00 -0.11 0.00 0.00 41.96 39.61 2zzs s TYR 49 CO 0.00 0.54 0.79 -1.25 -1.11 0.00 0.00 175.55 174.53 2zzs s PRO 50 N -0.53 4.56 0.25 -1.71 0.04 -1.26 -4.73 135.00 131.62 2zzs s PRO 50 Ca 0.17 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 62.08 2zzs s PRO 50 Cb -0.13 -3.20 -0.10 0.00 0.04 0.00 0.00 34.50 31.10 2zzs s PRO 50 CO 0.06 0.54 1.41 -0.80 0.04 0.00 0.00 177.00 178.25 2zzs s ASN 51 N -1.22 6.69 -0.01 6.66 0.01 -1.26 -4.50 114.94 121.31 2zzs s ASN 51 Ca 0.37 2.64 0.17 0.00 -0.71 0.00 0.00 52.86 55.33 2zzs s ASN 51 Cb -0.23 -2.62 -0.22 0.00 0.41 0.00 0.00 41.25 38.59 2zzs s ASN 51 CO 0.26 -0.67 0.59 0.18 -1.51 0.00 0.00 177.10 175.96 2zzs n LEU 52 N 2.23 0.48 -4.67 0.60 4.77 0.57 -4.95 117.00 116.02 2zzs n LEU 52 Ca 0.06 -0.29 -0.52 0.00 -0.03 0.00 0.00 56.01 55.23 2zzs n LEU 52 Cb 0.41 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 2zzs n LEU 52 CO 0.60 0.12 1.46 1.17 -1.33 0.00 0.00 177.39 179.41 2zzs n LYS 53 N -1.70 1.71 -1.10 3.23 4.81 -0.37 -1.64 118.16 123.10 2zzs n LYS 53 Ca 0.01 0.62 -0.04 0.00 -0.87 0.00 0.00 58.31 58.03 2zzs n LYS 53 Cb 0.35 -2.44 -0.02 0.00 0.02 0.00 0.00 35.03 32.94 2zzs n LYS 53 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2zzs n GLY 54 N 4.53 0.62 3.79 3.14 0.00 -0.30 -4.99 105.19 111.97 2zzs n GLY 54 Ca 0.26 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 2zzs n GLY 54 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2zzs s GLN 55 N -1.62 2.56 0.19 1.61 2.00 -0.65 -4.87 119.66 118.88 2zzs s GLN 55 Ca 0.00 1.11 -0.32 0.00 -2.00 0.00 0.00 55.36 54.15 2zzs s GLN 55 Cb 0.00 -1.94 -0.12 0.00 0.80 0.00 0.00 33.01 31.76 2zzs s GLN 55 CO 0.00 -1.41 1.71 1.21 -0.50 0.00 0.00 175.29 176.31 2zzs s ASN 56 N -3.46 6.41 0.09 6.67 3.84 -1.26 -4.09 114.94 123.14 2zzs s ASN 56 Ca 0.60 2.82 -0.21 0.00 0.21 0.00 0.00 52.86 56.29 2zzs s ASN 56 Cb -0.16 -2.60 -0.11 0.00 -0.55 0.00 0.00 41.25 37.84 2zzs s ASN 56 CO 0.54 -0.96 1.67 -0.08 -2.79 0.00 0.00 177.10 175.48 2zzs h GLU 57 N 6.99 0.19 -1.00 0.43 4.81 -1.92 0.74 114.58 124.83 2zzs h GLU 57 Ca -0.43 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.79 2zzs h GLU 57 Cb 1.20 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 2zzs h GLU 57 CO 0.95 0.24 0.66 0.37 -0.73 0.00 0.00 179.01 180.50 2zzs h GLN 58 N 0.10 1.29 -0.44 1.92 4.15 -1.93 -0.54 115.11 119.67 2zzs h GLN 58 Ca 0.05 -0.08 -0.09 0.00 0.77 0.00 0.00 58.65 59.30 2zzs h GLN 58 Cb 0.10 -0.29 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 2zzs h GLN 58 CO -0.01 0.85 -0.10 -0.92 -1.93 0.00 0.00 178.83 176.73 2zzs h TYR 59 N 1.33 0.85 -0.28 3.99 3.20 -1.82 -0.78 116.97 123.45 2zzs h TYR 59 Ca 0.37 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 2zzs h TYR 59 Cb -0.12 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 37.92 2zzs h TYR 59 CO -0.00 0.83 0.17 0.82 -1.64 0.00 0.00 178.16 178.35 2zzs h ILE 60 N 0.71 1.10 0.31 1.81 2.04 -0.09 -0.61 117.51 122.77 2zzs h ILE 60 Ca 0.12 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 2zzs h ILE 60 Cb 0.57 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 2zzs h ILE 60 CO 0.04 0.10 -0.30 0.58 0.00 0.00 0.00 178.15 178.56 2zzs h VAL 61 N 0.36 0.37 -0.37 1.67 2.07 -0.93 -1.64 116.25 117.78 2zzs h VAL 61 Ca 0.10 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 2zzs h VAL 61 Cb 0.01 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 2zzs h VAL 61 CO -0.02 0.00 0.08 0.77 0.02 0.00 0.00 177.57 178.42 2zzs h SER 62 N -0.64 0.50 0.15 0.57 4.64 -1.03 -1.95 113.55 115.79 2zzs h SER 62 Ca -0.02 -0.07 -0.23 0.00 -0.47 0.00 0.00 61.79 61.01 2zzs h SER 62 Cb 0.58 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2zzs h SER 62 CO -0.05 0.51 -0.89 0.77 -0.87 0.00 0.00 176.83 176.30 2zzs h SER 63 N 0.53 0.69 -0.43 4.97 4.64 -0.97 -1.71 113.55 121.28 2zzs h SER 63 Ca 0.12 -0.51 -0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2zzs h SER 63 Cb 0.22 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 2zzs h SER 63 CO -0.00 1.30 0.26 0.40 -0.87 0.00 0.00 176.83 177.92 2zzs h ILE 64 N 0.34 1.14 -0.93 0.95 2.04 -1.06 -2.28 117.51 117.70 2zzs h ILE 64 Ca -0.08 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.51 2zzs h ILE 64 Cb 1.51 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 38.11 2zzs h ILE 64 CO 0.16 0.14 0.61 0.11 0.00 0.00 0.00 178.15 179.17 2zzs h LYS 65 N 0.57 1.14 -0.88 2.37 1.57 -1.34 -0.61 116.57 119.38 2zzs h LYS 65 Ca 0.15 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2zzs h LYS 65 Cb -0.00 -0.26 -0.05 0.00 0.08 0.00 0.00 32.23 32.00 2zzs h LYS 65 CO -0.03 0.75 0.58 0.00 -0.57 0.00 0.00 179.45 180.18 2zzs h ALA 66 N 1.46 1.44 -0.24 3.86 0.00 -0.80 0.27 119.26 125.25 2zzs h ALA 66 Ca 0.37 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.06 2zzs h ALA 66 Cb 0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2zzs h ALA 66 CO -0.11 0.49 -0.54 1.88 0.00 0.00 0.00 179.25 180.96 2zzs h TYR 67 N 1.11 0.90 -0.80 0.00 0.05 -0.71 0.48 116.97 118.00 2zzs h TYR 67 Ca 0.34 -0.32 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 2zzs h TYR 67 Cb -0.01 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.53 2zzs h TYR 67 CO -0.00 1.10 0.39 -0.22 -1.05 0.00 0.00 178.16 178.38 2zzs h LYS 68 N 0.55 1.14 -0.29 4.88 3.64 0.34 -1.33 116.57 125.51 2zzs h LYS 68 Ca 0.01 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2zzs h LYS 68 Cb 1.12 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2zzs h LYS 68 CO 0.11 0.88 0.00 0.09 -2.27 0.00 0.00 179.45 178.26 2zzs n ASN 69 N -4.37 1.75 -2.16 4.20 5.03 0.79 -4.84 115.26 115.67 2zzs n ASN 69 Ca 0.07 -1.92 -0.17 0.00 0.87 0.00 0.00 54.58 53.43 2zzs n ASN 69 Cb 0.13 -0.19 -0.03 0.00 -1.02 0.00 0.00 39.78 38.67 2zzs n ASN 69 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2zzs n LYS 70 N 0.43 -1.76 0.11 3.52 5.02 -0.50 -4.86 118.16 120.13 2zzs n LYS 70 Ca 0.13 0.90 0.13 0.00 -2.02 0.00 0.00 58.31 57.44 2zzs n LYS 70 Cb 0.29 -5.45 0.43 0.00 -0.02 0.00 0.00 35.03 30.28 2zzs n LYS 70 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2zzs n GLU 71 N -2.71 0.25 -4.72 1.97 1.02 0.16 -4.44 120.64 112.17 2zzs n GLU 71 Ca -0.20 0.27 -0.33 0.00 -0.02 0.00 0.00 57.16 56.89 2zzs n GLU 71 Cb 0.63 -1.83 -0.14 0.00 -0.02 0.00 0.00 31.44 30.09 2zzs n GLU 71 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2zzs s ARG 72 N -3.16 3.27 0.05 3.49 0.52 -1.16 -5.01 118.95 116.96 2zzs s ARG 72 Ca 0.09 -0.65 -0.05 0.00 -0.52 0.00 0.00 55.73 54.60 2zzs s ARG 72 Cb 0.11 -2.64 -0.01 0.00 0.52 0.00 0.00 34.95 32.93 2zzs s ARG 72 CO 0.55 0.31 0.09 0.45 0.02 0.00 0.00 175.30 176.71 2zzs s SER 73 N 0.12 0.23 0.00 0.23 0.15 -1.26 -4.79 113.70 108.38 2zzs s SER 73 Ca -0.05 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 55.93 2zzs s SER 73 Cb -0.15 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 2zzs s SER 73 CO 0.04 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.51 2zzs n GLY 74 N 0.42 1.12 7.00 9.45 0.00 -1.26 -4.82 105.19 117.10 2zzs n GLY 74 Ca -0.17 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2zzs n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zzs n GLY 75 N 1.38 2.69 0.27 -0.02 0.00 -1.26 -0.98 105.19 107.26 2zzs n GLY 75 Ca 0.00 0.06 0.18 0.00 0.00 0.00 0.00 46.02 46.26 2zzs n GLY 75 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2zzs h LEU 76 N 0.00 0.00 -1.86 0.99 3.38 -1.98 -0.96 115.31 114.88 2zzs h LEU 76 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2zzs h LEU 76 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2zzs h LEU 76 CO 0.00 0.00 0.05 0.00 0.09 0.00 0.00 178.44 178.58 2zzs h ALA 77 N 2.01 1.89 -0.92 1.53 0.00 -1.38 -1.12 119.26 121.27 2zzs h ALA 77 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2zzs h ALA 77 Cb 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2zzs h ALA 77 CO 0.00 0.09 0.61 0.00 0.00 0.00 0.00 179.25 179.95 2zzs h ALA 78 N 1.91 1.37 -0.52 0.00 0.00 -1.31 0.15 119.26 120.85 2zzs h ALA 78 Ca 0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2zzs h ALA 78 Cb 0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2zzs h ALA 78 CO -0.00 0.57 0.09 0.28 0.00 0.00 0.00 179.25 180.18 2zzs h VAL 79 N 1.22 1.25 0.00 0.00 2.07 -1.38 -3.12 116.25 116.29 2zzs h VAL 79 Ca 0.35 -0.94 -0.15 0.00 0.82 0.00 0.00 66.70 66.78 2zzs h VAL 79 Cb -0.08 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2zzs h VAL 79 CO -0.09 0.34 -0.83 -0.03 0.02 0.00 0.00 177.57 176.98 2zzs h MET 80 N 0.75 0.00 -0.27 1.57 -1.53 -1.24 -3.01 114.93 111.20 2zzs h MET 80 Ca 0.16 0.00 0.06 0.00 -3.44 0.00 0.00 59.70 56.48 2zzs h MET 80 Cb 0.40 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 31.39 2zzs h MET 80 CO 0.01 0.59 -0.09 1.96 0.14 0.00 0.00 176.91 179.52 2zzs h GLN 81 N 0.00 -0.03 -0.24 0.39 4.20 -0.75 -0.55 115.11 118.14 2zzs h GLN 81 Ca -0.04 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.68 2zzs h GLN 81 Cb 1.54 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.31 2zzs h GLN 81 CO 0.08 -0.02 0.13 0.00 -0.67 0.00 0.00 178.83 178.35 2zzs h ALA 82 N 1.22 0.29 -0.28 3.87 0.00 -1.51 -1.13 119.26 121.73 2zzs h ALA 82 Ca 0.13 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2zzs h ALA 82 Cb 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2zzs h ALA 82 CO -0.29 -0.26 0.08 1.96 0.00 0.00 0.00 179.25 180.73 2zzs h GLN 83 N 0.28 0.40 -0.01 0.00 1.08 -1.44 -2.94 115.11 112.48 2zzs h GLN 83 Ca 0.09 -0.05 -0.17 0.00 -1.45 0.00 0.00 58.65 57.07 2zzs h GLN 83 Cb 0.00 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 2zzs h GLN 83 CO -0.05 0.37 -0.78 0.00 -0.95 0.00 0.00 178.83 177.42 2zzs h ALA 84 N 1.69 0.67 -0.21 3.87 0.00 -0.35 -3.11 119.26 121.83 2zzs h ALA 84 Ca 0.10 -0.68 0.06 0.00 0.00 0.00 0.00 54.91 54.38 2zzs h ALA 84 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2zzs h ALA 84 CO -0.01 0.91 0.24 0.77 0.00 0.00 0.00 179.25 181.16 2zzs h SER 85 N 0.06 0.00 0.36 0.00 0.02 -1.04 -1.08 113.55 111.87 2zzs h SER 85 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2zzs h SER 85 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 2zzs h SER 85 CO 0.11 0.00 -0.06 0.18 -1.14 0.00 0.00 176.83 175.92 2zzs n LEU 86 N -3.78 0.31 -4.85 5.07 4.77 -1.18 -4.86 117.00 112.48 2zzs n LEU 86 Ca 0.02 0.07 -0.37 0.00 -0.03 0.00 0.00 56.01 55.70 2zzs n LEU 86 Cb 0.37 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 2zzs n LEU 86 CO 0.27 0.06 -0.15 -0.76 -1.33 0.00 0.00 177.39 175.48 2zzs s LEU 87 N -2.42 4.37 0.50 2.23 1.43 -0.41 -5.10 118.68 119.29 2zzs s LEU 87 Ca 0.32 0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 53.86 2zzs s LEU 87 Cb 0.20 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 2zzs s LEU 87 CO 0.45 0.37 0.79 -0.94 0.23 0.00 0.00 176.35 177.25 2zzs s SER 88 N -0.82 5.97 0.26 2.29 1.04 -1.26 -4.92 113.70 116.25 2zzs s SER 88 Ca 0.15 0.72 -0.02 0.00 0.48 0.00 0.00 55.95 57.28 2zzs s SER 88 Cb -0.12 -1.93 0.52 0.00 0.10 0.00 0.00 66.02 64.58 2zzs s SER 88 CO 0.04 -0.75 1.73 0.44 0.98 0.00 0.00 173.24 175.68 2zzs h ASP 89 N 0.15 0.32 -0.22 7.02 5.19 -1.99 0.69 116.42 127.58 2zzs h ASP 89 Ca -0.46 0.11 -0.10 0.00 -0.62 0.00 0.00 57.03 55.96 2zzs h ASP 89 Cb 1.23 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.81 2zzs h ASP 89 CO 0.61 0.10 -0.18 0.44 -3.12 0.00 0.00 179.24 177.09 2zzs h ASP 90 N 0.46 0.65 -0.39 6.45 3.32 -2.00 -1.77 116.42 123.15 2zzs h ASP 90 Ca 0.45 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.31 2zzs h ASP 90 Cb 0.70 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 2zzs h ASP 90 CO -0.42 0.84 0.21 0.44 -1.72 0.00 0.00 179.24 178.59 2zzs h ASP 91 N 0.59 0.32 -0.81 6.45 3.32 -1.33 -1.86 116.42 123.11 2zzs h ASP 91 Ca 0.09 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 2zzs h ASP 91 Cb 0.64 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.10 2zzs h ASP 91 CO 0.05 0.23 0.41 0.40 -1.72 0.00 0.00 179.24 178.61 2zzs h ILE 92 N 0.43 1.25 -0.54 0.35 2.04 -0.60 -0.11 117.51 120.33 2zzs h ILE 92 Ca 0.16 -0.67 -0.10 0.00 1.00 0.00 0.00 64.86 65.25 2zzs h ILE 92 Cb 0.04 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 2zzs h ILE 92 CO -0.09 0.29 -0.05 0.00 0.00 0.00 0.00 178.15 178.30 2zzs h ALA 93 N 1.21 0.73 -0.38 1.87 0.00 -1.18 -0.78 119.26 120.73 2zzs h ALA 93 Ca 0.28 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2zzs h ALA 93 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2zzs h ALA 93 CO -0.04 0.59 0.14 -0.91 0.00 0.00 0.00 179.25 179.04 2zzs h ASN 94 N 0.85 0.54 -0.30 0.00 2.35 -0.68 -1.50 115.58 116.85 2zzs h ASN 94 Ca 0.15 -0.18 -0.15 0.00 -0.55 0.00 0.00 56.30 55.57 2zzs h ASN 94 Cb 0.60 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 2zzs h ASN 94 CO 0.04 0.57 -0.35 -0.07 -1.65 0.00 0.00 177.43 175.96 2zzs h LEU 95 N 0.47 0.88 -0.54 1.61 3.38 -0.95 -1.45 115.31 118.70 2zzs h LEU 95 Ca 0.13 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.75 2zzs h LEU 95 Cb 0.21 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2zzs h LEU 95 CO -0.01 1.14 0.30 0.00 0.09 0.00 0.00 178.44 179.96 2zzs h ALA 96 N 0.90 0.70 -0.45 1.53 0.00 -1.09 0.13 119.26 120.98 2zzs h ALA 96 Ca 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2zzs h ALA 96 Cb 0.92 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2zzs h ALA 96 CO 0.08 -0.03 0.17 0.00 0.00 0.00 0.00 179.25 179.48 2zzs h ALA 97 N 1.27 0.59 0.77 0.00 0.00 -1.02 -1.06 119.26 119.81 2zzs h ALA 97 Ca 0.23 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2zzs h ALA 97 Cb 0.11 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.73 2zzs h ALA 97 CO -0.14 0.20 -0.37 -0.92 0.00 0.00 0.00 179.25 178.02 2zzs h TYR 98 N 0.59 -0.96 -0.57 0.00 3.20 -0.77 -2.22 116.97 116.24 2zzs h TYR 98 Ca 0.15 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 2zzs h TYR 98 Cb 0.21 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 2zzs h TYR 98 CO 0.00 -0.58 0.14 1.88 -1.64 0.00 0.00 178.16 177.97 2zzs h TYR 99 N -1.11 0.95 0.00 -3.82 0.05 -0.76 -1.59 116.97 110.69 2zzs h TYR 99 Ca -0.11 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.56 2zzs h TYR 99 Cb 0.80 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 38.27 2zzs h TYR 99 CO -0.01 0.81 -0.04 0.66 -1.05 0.00 0.00 178.16 178.54 2zzs h SER 100 N 0.81 0.00 1.14 3.88 4.64 -1.21 -0.70 113.55 122.11 2zzs h SER 100 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2zzs h SER 100 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2zzs h SER 100 CO 0.00 0.04 -0.32 -1.54 -0.87 0.00 0.00 176.83 174.14 2zzs n SER 101 N -3.36 0.73 0.00 4.97 3.41 -0.61 -4.36 113.62 114.40 2zzs n SER 101 Ca -0.02 0.33 0.08 0.00 -0.26 0.00 0.00 58.87 59.00 2zzs n SER 101 Cb 0.16 -0.30 0.46 0.00 -0.26 0.00 0.00 64.21 64.27 2zzs n SER 101 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06