#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zzi s ALA 9 N 0.00 3.63 -0.78 4.61 0.00 -1.26 -4.93 121.76 123.04 1zzi s ALA 9 Ca 0.00 0.55 0.23 0.00 0.00 0.00 0.00 51.96 52.74 1zzi s ALA 9 Cb 0.00 -3.62 0.06 0.00 0.00 0.00 0.00 23.12 19.56 1zzi s ALA 9 CO 0.00 -1.14 1.06 -1.33 0.00 0.00 0.00 175.76 174.35 1zzi n MET 10 N 6.44 0.16 -0.05 0.00 0.00 -1.26 -5.07 117.12 117.35 1zzi n MET 10 Ca 0.14 -0.01 0.01 0.00 0.00 0.00 0.00 57.70 57.84 1zzi n MET 10 Cb 0.45 -1.55 -0.00 0.00 0.00 0.00 0.00 33.22 32.12 1zzi n MET 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1zzi n GLY 11 N 1.43 -2.06 3.74 3.03 0.00 -1.26 -4.20 105.19 105.87 1zzi n GLY 11 Ca 0.03 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 1zzi n GLY 11 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1zzi s PRO 12 N -0.37 2.62 0.06 1.61 0.02 -1.26 -4.85 135.00 132.84 1zzi s PRO 12 Ca 0.00 1.83 -0.30 0.00 0.02 0.00 0.00 61.00 62.54 1zzi s PRO 12 Cb 0.00 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.58 1zzi s PRO 12 CO 0.00 -1.48 1.11 0.42 -0.33 0.00 0.00 177.00 176.72 1zzi s ILE 13 N -1.72 4.28 0.17 2.83 1.01 -1.26 -4.19 121.20 122.33 1zzi s ILE 13 Ca 0.77 1.69 0.02 0.00 0.00 0.00 0.00 60.65 63.13 1zzi s ILE 13 Cb -0.31 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 1zzi s ILE 13 CO 0.39 0.16 -0.01 0.27 0.00 0.00 0.00 174.94 175.74 1zzi s ILE 14 N 0.83 0.75 -0.11 2.92 -4.36 0.06 -4.90 121.20 116.39 1zzi s ILE 14 Ca 0.55 -1.99 0.03 0.00 -0.26 0.00 0.00 60.65 58.98 1zzi s ILE 14 Cb -0.27 -2.11 0.01 0.00 1.25 0.00 0.00 42.46 41.35 1zzi s ILE 14 CO 0.30 -0.50 -0.21 -0.89 0.24 0.00 0.00 174.94 173.88 1zzi s THR 15 N -3.60 1.91 0.13 8.37 2.01 -1.26 -1.05 115.64 122.14 1zzi s THR 15 Ca 0.23 -0.91 0.09 0.00 0.31 0.00 0.00 61.69 61.41 1zzi s THR 15 Cb 0.06 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 1zzi s THR 15 CO 0.04 0.52 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.39 1zzi s THR 16 N 0.63 1.84 0.12 -0.82 2.01 0.49 -4.95 115.64 114.96 1zzi s THR 16 Ca -0.12 -1.71 0.11 0.00 0.31 0.00 0.00 61.69 60.28 1zzi s THR 16 Cb -0.16 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1zzi s THR 16 CO 0.03 -0.12 -0.26 -1.10 -0.69 0.00 0.00 174.62 172.48 1zzi s GLN 17 N -2.23 1.47 0.04 4.92 -0.21 -1.26 0.90 119.66 123.29 1zzi s GLN 17 Ca 0.11 -1.31 -0.00 0.00 0.02 0.00 0.00 55.36 54.18 1zzi s GLN 17 Cb -0.09 -1.93 -0.03 0.00 1.00 0.00 0.00 33.01 31.97 1zzi s GLN 17 CO 0.05 0.46 -0.04 0.14 -2.12 0.00 0.00 175.29 173.79 1zzi s VAL 18 N -1.04 0.23 0.09 1.09 -7.23 0.11 -4.98 120.40 108.67 1zzi s VAL 18 Ca 0.14 -1.33 0.04 0.00 -1.81 0.00 0.00 61.98 59.02 1zzi s VAL 18 Cb -0.10 -0.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 1zzi s VAL 18 CO 0.06 -0.70 0.06 0.42 -0.31 0.00 0.00 175.10 174.62 1zzi s THR 19 N -2.53 4.35 -0.00 5.32 -4.23 -1.26 -0.63 115.64 116.65 1zzi s THR 19 Ca -0.05 -0.89 0.06 0.00 -1.18 0.00 0.00 61.69 59.64 1zzi s THR 19 Cb -0.02 -3.10 -0.02 0.00 1.34 0.00 0.00 72.50 70.70 1zzi s THR 19 CO -0.05 0.09 -0.20 0.27 -0.54 0.00 0.00 174.62 174.20 1zzi s ILE 20 N -1.41 1.59 0.17 2.99 -4.36 0.58 -4.94 121.20 115.82 1zzi s ILE 20 Ca 0.28 -0.91 -0.33 0.00 -0.26 0.00 0.00 60.65 59.43 1zzi s ILE 20 Cb -0.12 -1.33 -0.15 0.00 1.25 0.00 0.00 42.46 42.11 1zzi s ILE 20 CO 0.21 0.40 1.31 -2.65 0.24 0.00 0.00 174.94 174.45 1zzi n PRO 21 N 2.46 1.52 -0.04 0.37 -0.02 -1.26 -0.49 135.00 137.53 1zzi n PRO 21 Ca -0.15 0.54 0.21 0.00 -2.02 0.00 0.00 63.50 62.08 1zzi n PRO 21 Cb 0.53 -2.14 0.68 0.00 -0.02 0.00 0.00 33.50 32.55 1zzi n PRO 21 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1zzi h LYS 22 N 4.12 0.03 0.00 -0.52 2.10 -0.95 0.29 116.57 121.64 1zzi h LYS 22 Ca -0.45 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1zzi h LYS 22 Cb 1.31 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1zzi h LYS 22 CO 0.75 0.02 0.00 -0.44 -2.00 0.00 0.00 179.45 177.78 1zzi h ASP 23 N 0.03 0.00 0.73 7.07 3.32 -1.86 -1.31 116.42 124.41 1zzi h ASP 23 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1zzi h ASP 23 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1zzi h ASP 23 CO -0.01 0.00 -0.27 0.18 -1.72 0.00 0.00 179.24 177.42 1zzi n LEU 24 N -2.53 0.27 -0.10 1.55 4.77 0.09 -4.28 117.00 116.77 1zzi n LEU 24 Ca 0.03 0.23 0.03 0.00 -0.03 0.00 0.00 56.01 56.28 1zzi n LEU 24 Cb 0.37 -0.37 0.35 0.00 -2.33 0.00 0.00 43.42 41.44 1zzi n LEU 24 CO 0.27 0.07 1.20 0.00 -1.33 0.00 0.00 177.39 177.60 1zzi h ALA 25 N 3.00 1.61 -0.29 -1.18 0.00 -1.25 -1.05 119.26 120.10 1zzi h ALA 25 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1zzi h ALA 25 Cb 0.50 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1zzi h ALA 25 CO 0.00 0.35 0.11 0.78 0.00 0.00 0.00 179.25 180.49 1zzi h GLY 26 N 0.76 0.43 1.57 0.00 0.00 -1.77 -1.86 103.07 102.20 1zzi h GLY 26 Ca 0.22 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 1zzi h GLY 26 CO -0.05 0.19 -0.31 1.48 0.00 0.00 0.00 176.54 177.85 1zzi h SER 27 N 0.40 0.50 0.87 0.19 4.64 -1.47 0.18 113.55 118.85 1zzi h SER 27 Ca 0.10 -0.19 -0.19 0.00 -0.47 0.00 0.00 61.79 61.04 1zzi h SER 27 Cb 0.10 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1zzi h SER 27 CO -0.01 0.78 -0.92 0.16 -0.87 0.00 0.00 176.83 175.98 1zzi h ILE 28 N 0.42 1.63 0.03 0.95 -0.00 -1.38 -3.36 117.51 115.80 1zzi h ILE 28 Ca 0.05 -3.06 -0.10 0.00 -0.00 0.00 0.00 64.86 61.75 1zzi h ILE 28 Cb 0.75 2.67 -0.00 0.00 -0.00 0.00 0.00 36.82 40.23 1zzi h ILE 28 CO 0.06 0.88 -0.50 0.40 -0.00 0.00 0.00 178.15 178.99 1zzi h ILE 29 N 0.01 1.51 0.00 0.16 2.04 -1.09 -1.76 117.51 118.38 1zzi h ILE 29 Ca -0.02 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.50 1zzi h ILE 29 Cb 1.61 3.06 0.00 0.00 -0.74 0.00 0.00 36.82 40.75 1zzi h ILE 29 CO 0.12 0.57 0.00 0.61 0.00 0.00 0.00 178.15 179.45 1zzi n GLY 30 N 1.59 -2.33 3.73 5.37 0.00 0.60 -1.07 105.19 113.08 1zzi n GLY 30 Ca -0.17 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 1zzi n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1zzi n LYS 31 N -2.14 2.68 -1.03 1.61 4.76 -1.26 -0.80 118.16 121.98 1zzi n LYS 31 Ca 0.00 0.96 -0.01 0.00 -2.87 0.00 0.00 58.31 56.39 1zzi n LYS 31 Cb 0.00 -2.77 -0.00 0.00 -1.84 0.00 0.00 35.03 30.42 1zzi n LYS 31 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1zzi n GLY 32 N 3.05 0.17 2.19 0.72 0.00 -1.26 -1.10 105.19 108.96 1zzi n GLY 32 Ca 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 1zzi n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zzi n GLY 33 N 0.23 0.72 0.24 -0.02 0.00 0.02 -4.94 105.19 101.43 1zzi n GLY 33 Ca -0.01 -0.62 0.01 0.00 0.00 0.00 0.00 46.02 45.40 1zzi n GLY 33 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1zzi h GLN 34 N 0.16 0.33 0.01 1.61 3.07 -0.96 0.00 115.11 119.34 1zzi h GLN 34 Ca -0.09 -0.09 -0.00 0.00 0.09 0.00 0.00 58.65 58.56 1zzi h GLN 34 Cb 0.35 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.87 1zzi h GLN 34 CO 0.13 0.48 -0.01 -0.09 0.09 0.00 0.00 178.83 179.44 1zzi h ARG 35 N 0.31 -0.02 -0.15 0.06 9.65 -1.34 -1.86 114.38 121.04 1zzi h ARG 35 Ca 0.06 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.84 1zzi h ARG 35 Cb 0.45 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 1zzi h ARG 35 CO 0.03 0.52 -0.37 0.97 2.80 0.00 0.00 179.97 183.92 1zzi h ILE 36 N -0.56 1.29 -0.82 1.20 6.09 -0.34 0.11 117.51 124.48 1zzi h ILE 36 Ca -0.00 -1.44 0.03 0.00 -1.37 0.00 0.00 64.86 62.08 1zzi h ILE 36 Cb 0.55 1.59 -0.05 0.00 0.47 0.00 0.00 36.82 39.38 1zzi h ILE 36 CO 0.00 0.44 0.53 0.11 -3.07 0.00 0.00 178.15 176.16 1zzi h LYS 37 N 0.27 1.01 -0.34 2.19 1.57 -0.99 0.41 116.57 120.69 1zzi h LYS 37 Ca 0.03 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1zzi h LYS 37 Cb 0.77 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1zzi h LYS 37 CO 0.06 0.67 0.03 0.37 -0.57 0.00 0.00 179.45 180.00 1zzi h GLN 38 N 1.04 0.58 -0.64 3.15 5.75 -0.29 -0.17 115.11 124.52 1zzi h GLN 38 Ca 0.32 -0.17 -0.03 0.00 -0.15 0.00 0.00 58.65 58.62 1zzi h GLN 38 Cb -0.02 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 1zzi h GLN 38 CO -0.10 0.68 0.29 0.82 -2.65 0.00 0.00 178.83 177.87 1zzi h ILE 39 N 0.40 1.23 -0.06 2.39 2.04 -0.55 0.46 117.51 123.41 1zzi h ILE 39 Ca 0.10 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.31 1zzi h ILE 39 Cb 0.40 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1zzi h ILE 39 CO 0.01 0.27 -0.01 0.03 0.00 0.00 0.00 178.15 178.45 1zzi h ARG 40 N 0.89 0.01 -0.26 2.37 3.08 -0.72 -0.12 114.38 119.62 1zzi h ARG 40 Ca 0.22 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.30 1zzi h ARG 40 Cb 0.15 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1zzi h ARG 40 CO -0.02 0.01 0.06 1.25 -1.07 0.00 0.00 179.97 180.19 1zzi h HIS 41 N 0.01 0.10 -0.12 3.04 2.76 -0.65 -0.09 115.15 120.20 1zzi h HIS 41 Ca 0.03 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 1zzi h HIS 41 Cb 0.04 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.99 1zzi h HIS 41 CO -0.12 0.03 -0.12 1.49 -1.30 0.00 0.00 177.93 177.91 1zzi h GLU 42 N 0.16 0.30 0.00 5.26 4.81 0.03 -3.20 114.58 121.93 1zzi h GLU 42 Ca 0.12 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 1zzi h GLU 42 Cb 0.12 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1zzi h GLU 42 CO -0.15 0.69 -0.50 0.66 -0.73 0.00 0.00 179.01 178.98 1zzi h SER 43 N -0.09 0.00 0.00 1.04 4.64 -1.03 -3.47 113.55 114.64 1zzi h SER 43 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1zzi h SER 43 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1zzi h SER 43 CO 0.03 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 1zzi n GLY 44 N 0.13 1.85 3.84 -0.77 0.00 -0.05 -4.56 105.19 105.62 1zzi n GLY 44 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1zzi n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zzi s ALA 45 N -3.43 3.27 0.20 4.61 0.00 -1.24 -4.93 121.76 120.24 1zzi s ALA 45 Ca 0.00 0.15 -0.27 0.00 0.00 0.00 0.00 51.96 51.84 1zzi s ALA 45 Cb 0.00 -2.87 -0.08 0.00 0.00 0.00 0.00 23.12 20.17 1zzi s ALA 45 CO 0.00 0.29 0.84 -1.12 0.00 0.00 0.00 175.76 175.77 1zzi s SER 46 N -2.15 7.48 -0.03 0.00 0.01 0.92 -4.60 113.70 115.32 1zzi s SER 46 Ca 0.54 1.76 -0.00 0.00 1.31 0.00 0.00 55.95 59.56 1zzi s SER 46 Cb -0.11 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.61 1zzi s SER 46 CO 0.17 0.18 0.02 -0.63 0.41 0.00 0.00 173.24 173.39 1zzi s ILE 47 N -1.19 0.08 -0.08 1.44 1.01 -1.26 -0.63 121.20 120.58 1zzi s ILE 47 Ca 0.38 0.18 0.04 0.00 0.00 0.00 0.00 60.65 61.25 1zzi s ILE 47 Cb -0.24 -0.22 -0.00 0.00 0.01 0.00 0.00 42.46 42.02 1zzi s ILE 47 CO 0.28 0.14 -0.22 -0.75 0.00 0.00 0.00 174.94 174.40 1zzi s LYS 48 N 1.27 2.63 -0.22 2.79 2.20 0.41 -4.96 119.74 123.87 1zzi s LYS 48 Ca -0.06 -0.79 -0.03 0.00 -0.36 0.00 0.00 55.97 54.73 1zzi s LYS 48 Cb -0.13 -2.07 0.00 0.00 -1.51 0.00 0.00 37.83 34.13 1zzi s LYS 48 CO -0.03 0.20 -0.07 0.42 -0.36 0.00 0.00 175.35 175.51 1zzi s ILE 49 N 0.28 3.08 0.76 5.43 -1.09 -1.26 -0.09 121.20 128.30 1zzi s ILE 49 Ca -0.14 -0.66 -0.12 0.00 -2.23 0.00 0.00 60.65 57.50 1zzi s ILE 49 Cb -0.16 -2.42 0.05 0.00 -1.58 0.00 0.00 42.46 38.34 1zzi s ILE 49 CO 0.07 0.39 1.13 -1.81 -1.23 0.00 0.00 174.94 173.49 1zzi s ASP 50 N 1.42 4.99 0.77 3.58 1.01 0.32 -4.99 116.67 123.78 1zzi s ASP 50 Ca 0.05 1.00 -0.12 0.00 0.71 0.00 0.00 52.55 54.18 1zzi s ASP 50 Cb -0.14 -1.66 0.06 0.00 1.01 0.00 0.00 42.92 42.18 1zzi s ASP 50 CO -0.05 -1.62 1.12 -1.61 0.21 0.00 0.00 175.17 173.22 1zzi s GLU 51 N -5.44 2.10 0.56 8.23 0.41 -1.26 -4.45 118.70 118.85 1zzi s GLU 51 Ca 0.60 1.36 -0.21 0.00 -0.41 0.00 0.00 54.97 56.31 1zzi s GLU 51 Cb -0.11 -1.87 -0.04 0.00 -1.78 0.00 0.00 34.13 30.33 1zzi s GLU 51 CO 0.51 -1.79 1.30 -1.25 -0.49 0.00 0.00 175.26 173.55 1zzi s PRO 52 N -4.58 3.09 0.91 0.39 0.04 -1.26 -4.60 135.00 128.99 1zzi s PRO 52 Ca 0.65 2.10 -0.11 0.00 0.04 0.00 0.00 61.00 63.67 1zzi s PRO 52 Cb -0.20 -2.16 0.14 0.00 0.04 0.00 0.00 34.50 32.31 1zzi s PRO 52 CO 0.52 -1.18 1.09 -0.51 0.04 0.00 0.00 177.00 176.96 1zzi s LEU 53 N -3.68 2.34 -0.42 -3.56 1.43 -1.26 -4.83 118.68 108.70 1zzi s LEU 53 Ca 0.73 1.67 -0.40 0.00 -1.03 0.00 0.00 54.13 55.10 1zzi s LEU 53 Cb -0.37 -4.08 -0.15 0.00 0.03 0.00 0.00 46.19 41.62 1zzi s LEU 53 CO 0.43 -2.78 2.14 -0.62 0.23 0.00 0.00 176.35 175.75 1zzi n GLU 54 N -3.99 0.56 -2.84 1.70 1.02 -1.26 -1.40 120.64 114.43 1zzi n GLU 54 Ca 0.08 0.15 -0.16 0.00 -0.02 0.00 0.00 57.16 57.22 1zzi n GLU 54 Cb 0.54 -1.98 0.03 0.00 -0.02 0.00 0.00 31.44 30.01 1zzi n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1zzi n GLY 55 N 6.85 -0.14 3.75 0.62 0.00 -1.26 -5.03 105.19 109.98 1zzi n GLY 55 Ca 0.47 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 1zzi n GLY 55 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1zzi s SER 56 N -2.85 5.47 0.00 1.61 0.15 -0.49 -5.00 113.70 112.58 1zzi s SER 56 Ca 0.23 0.05 0.27 0.00 0.70 0.00 0.00 55.95 57.20 1zzi s SER 56 Cb -0.10 -1.50 0.91 0.00 -1.71 0.00 0.00 66.02 63.61 1zzi s SER 56 CO 0.29 0.24 1.67 -0.62 1.20 0.00 0.00 173.24 176.02 1zzi n GLU 57 N 0.99 0.49 -4.26 5.44 1.02 -1.26 -4.80 120.64 118.26 1zzi n GLU 57 Ca -0.12 -0.23 -0.28 0.00 -0.02 0.00 0.00 57.16 56.51 1zzi n GLU 57 Cb 0.52 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.35 1zzi n GLU 57 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1zzi s ASP 58 N -2.67 4.29 0.00 1.62 1.01 -1.26 -0.29 116.67 119.37 1zzi s ASP 58 Ca 0.22 -0.49 0.05 0.00 0.71 0.00 0.00 52.55 53.04 1zzi s ASP 58 Cb 0.19 -0.76 -0.03 0.00 1.01 0.00 0.00 42.92 43.33 1zzi s ASP 58 CO 0.55 0.14 -0.15 -0.13 0.21 0.00 0.00 175.17 175.79 1zzi s ARG 59 N -2.49 2.31 -0.18 8.23 0.52 0.35 -4.34 118.95 123.35 1zzi s ARG 59 Ca 0.23 -0.83 -0.14 0.00 -0.52 0.00 0.00 55.73 54.46 1zzi s ARG 59 Cb -0.10 -2.31 -0.05 0.00 0.52 0.00 0.00 34.95 33.02 1zzi s ARG 59 CO 0.14 0.58 0.29 0.42 0.02 0.00 0.00 175.30 176.75 1zzi s ILE 60 N -0.87 5.29 -0.14 1.52 1.01 -1.26 -0.31 121.20 126.44 1zzi s ILE 60 Ca 0.14 0.53 -0.05 0.00 0.00 0.00 0.00 60.65 61.26 1zzi s ILE 60 Cb -0.11 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1zzi s ILE 60 CO 0.04 0.36 0.04 -0.63 0.00 0.00 0.00 174.94 174.75 1zzi s ILE 61 N 0.72 4.66 -0.14 2.92 1.01 0.19 -0.52 121.20 130.04 1zzi s ILE 61 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1zzi s ILE 61 Cb -0.13 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 1zzi s ILE 61 CO 0.04 0.53 -0.15 -0.89 0.00 0.00 0.00 174.94 174.48 1zzi s THR 62 N -0.22 2.76 -0.11 2.92 2.01 0.86 -0.71 115.64 123.16 1zzi s THR 62 Ca 0.07 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.36 1zzi s THR 62 Cb -0.12 -2.16 0.00 0.00 0.01 0.00 0.00 72.50 70.23 1zzi s THR 62 CO 0.02 0.52 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.61 1zzi s ILE 63 N 0.65 1.98 -0.09 1.82 1.01 0.26 -0.44 121.20 126.38 1zzi s ILE 63 Ca -0.08 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.62 1zzi s ILE 63 Cb -0.16 -1.73 0.02 0.00 0.01 0.00 0.00 42.46 40.60 1zzi s ILE 63 CO 0.02 0.54 -0.11 -0.89 0.00 0.00 0.00 174.94 174.50 1zzi s THR 64 N 0.50 1.19 -1.14 2.92 2.01 0.20 -0.38 115.64 120.94 1zzi s THR 64 Ca -0.15 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.39 1zzi s THR 64 Cb -0.17 -1.12 0.00 0.00 0.01 0.00 0.00 72.50 71.22 1zzi s THR 64 CO 0.06 0.38 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 1zzi n GLY 65 N 4.28 -1.38 3.67 4.40 0.00 -0.22 -0.06 105.19 115.88 1zzi n GLY 65 Ca -0.19 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 1zzi n GLY 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1zzi s THR 66 N -2.54 2.40 0.20 2.61 -4.23 -1.26 -0.76 115.64 112.07 1zzi s THR 66 Ca 0.00 0.13 -0.11 0.00 -1.18 0.00 0.00 61.69 60.53 1zzi s THR 66 Cb 0.00 -2.33 0.13 0.00 1.34 0.00 0.00 72.50 71.64 1zzi s THR 66 CO 0.00 -0.17 1.74 -0.61 -0.54 0.00 0.00 174.62 175.03 1zzi h GLN 67 N -1.81 0.34 -0.73 3.99 5.75 -1.73 -0.39 115.11 120.54 1zzi h GLN 67 Ca -0.48 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.02 1zzi h GLN 67 Cb 1.28 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.71 1zzi h GLN 67 CO 0.47 0.23 0.48 -0.44 -2.65 0.00 0.00 178.83 176.92 1zzi h ASP 68 N 0.35 0.81 -0.35 -0.69 3.32 -1.91 0.08 116.42 118.03 1zzi h ASP 68 Ca 0.29 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.18 1zzi h ASP 68 Cb 0.36 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1zzi h ASP 68 CO -0.31 0.57 -0.32 1.56 -1.72 0.00 0.00 179.24 179.03 1zzi h GLN 69 N 0.94 0.83 -0.48 3.56 4.20 -1.50 -0.83 115.11 121.84 1zzi h GLN 69 Ca 0.28 -0.43 -0.08 0.00 0.06 0.00 0.00 58.65 58.48 1zzi h GLN 69 Cb -0.05 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1zzi h GLN 69 CO -0.07 1.06 0.00 0.82 -0.67 0.00 0.00 178.83 179.98 1zzi h ILE 70 N 0.62 1.26 -0.26 2.54 2.04 -0.56 0.18 117.51 123.33 1zzi h ILE 70 Ca 0.06 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 64.87 1zzi h ILE 70 Cb 0.90 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1zzi h ILE 70 CO 0.08 0.37 0.14 1.56 0.00 0.00 0.00 178.15 180.30 1zzi h GLN 71 N 0.70 0.28 -0.19 2.37 4.20 -0.85 0.20 115.11 121.82 1zzi h GLN 71 Ca 0.14 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1zzi h GLN 71 Cb 0.50 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1zzi h GLN 71 CO 0.02 0.18 0.11 -0.97 -0.67 0.00 0.00 178.83 177.51 1zzi h ASN 72 N 0.29 0.23 -0.37 1.46 -0.00 -0.81 -1.77 115.58 114.61 1zzi h ASN 72 Ca 0.10 -0.06 0.04 0.00 -0.00 0.00 0.00 56.30 56.39 1zzi h ASN 72 Cb 0.01 -0.06 -0.04 0.00 -0.00 0.00 0.00 38.32 38.23 1zzi h ASN 72 CO -0.06 0.22 0.13 0.00 -0.00 0.00 0.00 177.43 177.72 1zzi h ALA 73 N 1.02 0.43 -0.31 1.57 0.00 -0.09 -0.83 119.26 121.04 1zzi h ALA 73 Ca 0.07 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1zzi h ALA 73 Cb 0.04 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1zzi h ALA 73 CO -0.01 -0.27 0.05 1.96 0.00 0.00 0.00 179.25 180.98 1zzi h GLN 74 N 0.28 0.16 -0.44 0.00 4.20 -0.41 0.14 115.11 119.03 1zzi h GLN 74 Ca 0.17 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.93 1zzi h GLN 74 Cb 0.15 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 1zzi h GLN 74 CO -0.18 0.10 0.14 -0.92 -0.67 0.00 0.00 178.83 177.31 1zzi h TYR 75 N 0.16 0.25 -0.11 2.96 3.20 -0.94 0.18 116.97 122.67 1zzi h TYR 75 Ca 0.15 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.94 1zzi h TYR 75 Cb 0.16 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1zzi h TYR 75 CO -0.18 0.08 -0.37 -0.07 -1.64 0.00 0.00 178.16 175.98 1zzi h LEU 76 N 0.30 0.24 -0.37 2.82 3.38 -0.73 0.14 115.31 121.10 1zzi h LEU 76 Ca 0.21 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1zzi h LEU 76 Cb 0.21 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1zzi h LEU 76 CO -0.22 0.60 -0.24 -0.07 0.09 0.00 0.00 178.44 178.60 1zzi h LEU 77 N 0.20 0.85 -0.20 1.67 3.38 -0.18 -1.54 115.31 119.49 1zzi h LEU 77 Ca 0.02 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1zzi h LEU 77 Cb 0.75 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1zzi h LEU 77 CO 0.06 1.09 0.10 -0.61 0.09 0.00 0.00 178.44 179.17 1zzi h GLN 78 N 0.60 0.28 -0.80 1.13 5.75 -0.27 -2.28 115.11 119.52 1zzi h GLN 78 Ca 0.07 -0.04 0.15 0.00 -0.15 0.00 0.00 58.65 58.69 1zzi h GLN 78 Cb 0.81 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 29.25 1zzi h GLN 78 CO 0.07 0.29 0.53 -0.91 -2.65 0.00 0.00 178.83 176.16 1zzi h ASN 79 N 0.19 0.47 -0.87 -0.69 2.35 -0.65 -2.69 115.58 113.69 1zzi h ASN 79 Ca 0.07 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1zzi h ASN 79 Cb 0.10 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.36 1zzi h ASN 79 CO -0.01 0.24 0.55 0.28 -1.65 0.00 0.00 177.43 176.84 1zzi h SER 80 N 0.49 1.02 -0.90 5.81 0.02 -0.67 -1.63 113.55 117.69 1zzi h SER 80 Ca 0.40 -0.05 0.19 0.00 -0.84 0.00 0.00 61.79 61.49 1zzi h SER 80 Cb 0.83 -0.26 -0.17 0.00 0.14 0.00 0.00 62.40 62.94 1zzi h SER 80 CO -0.15 0.76 -0.18 0.58 -1.14 0.00 0.00 176.83 176.71 1zzi h VAL 81 N 1.18 0.11 -1.00 2.27 2.07 -1.48 -1.52 116.25 117.89 1zzi h VAL 81 Ca 0.31 -0.00 0.33 0.00 0.82 0.00 0.00 66.70 68.16 1zzi h VAL 81 Cb -0.09 0.10 -0.15 0.00 -1.52 0.00 0.00 31.29 29.62 1zzi h VAL 81 CO -0.06 0.00 0.57 0.11 0.02 0.00 0.00 177.57 178.20 1zzi h LYS 82 N 0.01 0.30 0.00 1.57 1.57 -1.41 0.60 116.57 119.22 1zzi h LYS 82 Ca 0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1zzi h LYS 82 Cb 0.73 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1zzi h LYS 82 CO -0.91 0.20 0.00 1.04 -0.57 0.00 0.00 179.45 179.21 1zzi n GLN 83 N -5.06 0.85 -1.96 3.15 6.02 -0.58 -4.95 117.38 114.85 1zzi n GLN 83 Ca 0.32 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.89 1zzi n GLN 83 Cb 0.99 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 30.79 1zzi n GLN 83 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1zzi s TYR 84 N -2.00 3.07 -1.67 1.08 5.04 0.21 -4.90 117.35 118.18 1zzi s TYR 84 Ca 0.36 0.71 0.21 0.00 -2.44 0.00 0.00 57.07 55.90 1zzi s TYR 84 Cb 0.16 -3.89 -0.07 0.00 0.35 0.00 0.00 41.96 38.51 1zzi s TYR 84 CO 0.27 -3.23 0.99 -1.13 -1.34 0.00 0.00 175.55 171.12 1zzi n SER 85 N 3.75 1.68 -1.88 4.32 3.41 -1.26 -4.98 113.62 118.67 1zzi n SER 85 Ca 0.13 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 57.39 1zzi n SER 85 Cb 0.39 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 1zzi n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1zzi n GLY 86 N 1.40 1.02 3.73 5.00 0.00 -1.26 -5.08 105.19 110.00 1zzi n GLY 86 Ca 0.07 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 1zzi n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zzi s LYS 87 N -1.82 4.63 0.25 1.61 1.02 -1.26 -4.95 119.74 119.22 1zzi s LYS 87 Ca 0.00 1.35 0.13 0.00 0.02 0.00 0.00 55.97 57.47 1zzi s LYS 87 Cb 0.00 -3.39 0.17 0.00 -0.52 0.00 0.00 37.83 34.09 1zzi s LYS 87 CO 0.00 0.18 1.49 0.74 -0.92 0.00 0.00 175.35 176.84 1zzi h PHE 88 N 5.81 0.00 0.00 3.18 0.04 -1.98 -3.49 116.94 120.50 1zzi h PHE 88 Ca -0.43 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.34 1zzi h PHE 88 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 1zzi h PHE 88 CO 0.65 0.65 0.00 1.97 -0.60 0.00 0.00 178.31 180.98