#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugh h LEU 4 N 0.00 0.00 -0.19 1.20 4.07 -1.99 -3.16 115.31 115.23 1ugh h LEU 4 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 1ugh h LEU 4 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1ugh h LEU 4 CO 0.00 0.47 0.02 0.77 -1.08 0.00 0.00 178.44 178.62 1ugh h SER 5 N 0.00 0.31 0.74 -0.43 4.64 -2.00 -2.15 113.55 114.67 1ugh h SER 5 Ca -0.00 -0.28 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1ugh h SER 5 Cb 1.02 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1ugh h SER 5 CO 0.06 0.51 -0.01 -2.24 -0.87 0.00 0.00 176.83 174.28 1ugh h ASP 6 N 0.10 0.00 -0.21 4.97 2.03 -1.92 0.21 116.42 121.61 1ugh h ASP 6 Ca 0.06 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.19 1ugh h ASP 6 Cb 0.34 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.83 1ugh h ASP 6 CO 0.01 0.01 -0.48 0.40 -1.03 0.00 0.00 179.24 178.15 1ugh h ILE 7 N 0.00 1.29 -0.10 4.15 2.04 -1.41 -0.53 117.51 122.95 1ugh h ILE 7 Ca -0.00 -1.67 -0.06 0.00 1.00 0.00 0.00 64.86 64.13 1ugh h ILE 7 Cb 0.39 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1ugh h ILE 7 CO 0.00 0.54 -0.15 0.40 0.00 0.00 0.00 178.15 178.94 1ugh h ILE 8 N 0.62 1.38 -0.68 -0.67 2.04 -0.47 -2.71 117.51 117.02 1ugh h ILE 8 Ca 0.03 -1.39 0.04 0.00 1.00 0.00 0.00 64.86 64.54 1ugh h ILE 8 Cb 1.05 2.06 -0.04 0.00 -0.74 0.00 0.00 36.82 39.15 1ugh h ILE 8 CO 0.10 0.40 0.45 -0.08 0.00 0.00 0.00 178.15 179.02 1ugh h GLU 9 N -0.15 0.76 -0.06 2.37 4.81 -1.02 -0.03 114.58 121.27 1ugh h GLU 9 Ca 0.01 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1ugh h GLU 9 Cb 0.71 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 1ugh h GLU 9 CO 0.04 0.51 0.04 -0.22 -0.73 0.00 0.00 179.01 178.64 1ugh h LYS 10 N 0.79 0.09 0.00 1.92 3.64 -0.99 0.66 116.57 122.67 1ugh h LYS 10 Ca 0.28 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1ugh h LYS 10 Cb 0.11 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1ugh h LYS 10 CO -0.08 0.12 0.00 0.93 -2.27 0.00 0.00 179.45 178.15 1ugh h GLU 11 N 0.03 0.00 0.00 1.90 4.39 -1.09 -3.37 114.58 116.44 1ugh h GLU 11 Ca 0.02 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1ugh h GLU 11 Cb 0.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1ugh h GLU 11 CO -0.00 0.00 -1.10 0.25 -1.16 0.00 0.00 179.01 176.99 1ugh n THR 12 N -2.50 0.10 -0.51 1.13 -2.24 -0.08 -5.00 114.28 105.17 1ugh n THR 12 Ca 0.05 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1ugh n THR 12 Cb 0.45 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 1ugh n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ugh n GLY 13 N 2.87 0.75 3.33 3.38 0.00 0.23 -5.03 105.19 110.73 1ugh n GLY 13 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1ugh n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ugh s LYS 14 N -0.49 2.80 -0.59 1.61 2.36 -1.25 -5.01 119.74 119.17 1ugh s LYS 14 Ca 0.00 -0.81 -0.27 0.00 -2.55 0.00 0.00 55.97 52.34 1ugh s LYS 14 Cb 0.00 -2.33 0.03 0.00 -1.05 0.00 0.00 37.83 34.48 1ugh s LYS 14 CO 0.00 0.36 1.14 1.14 1.55 0.00 0.00 175.35 179.55 1ugh s GLN 15 N -0.09 3.45 0.07 4.03 0.00 -1.26 -3.43 119.66 122.42 1ugh s GLN 15 Ca -0.04 0.09 0.04 0.00 -0.00 0.00 0.00 55.36 55.45 1ugh s GLN 15 Cb -0.14 -4.04 -0.04 0.00 0.00 0.00 0.00 33.01 28.79 1ugh s GLN 15 CO 0.04 -1.68 0.02 -0.51 0.00 0.00 0.00 175.29 173.17 1ugh s LEU 16 N 4.79 3.57 -0.24 2.60 1.43 -1.26 -5.05 118.68 124.52 1ugh s LEU 16 Ca 0.39 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.28 1ugh s LEU 16 Cb -0.09 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 1ugh s LEU 16 CO 0.23 0.19 0.24 -0.69 0.23 0.00 0.00 176.35 176.55 1ugh s VAL 17 N -1.29 5.30 -0.24 -1.59 1.01 -1.26 -4.87 120.40 117.47 1ugh s VAL 17 Ca 0.26 0.33 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 1ugh s VAL 17 Cb -0.12 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1ugh s VAL 17 CO 0.18 0.29 1.37 -0.63 0.00 0.00 0.00 175.10 176.31 1ugh s ILE 18 N 1.35 4.06 -0.16 2.22 -1.09 -1.26 -4.27 121.20 122.05 1ugh s ILE 18 Ca 0.11 1.23 0.18 0.00 -2.23 0.00 0.00 60.65 59.94 1ugh s ILE 18 Cb -0.14 -3.99 -0.06 0.00 -1.58 0.00 0.00 42.46 36.68 1ugh s ILE 18 CO 0.07 -0.33 0.98 1.56 -1.23 0.00 0.00 174.94 175.99 1ugh h GLN 19 N 9.29 0.00 -2.47 2.79 1.08 -1.23 -3.48 115.11 121.09 1ugh h GLN 19 Ca -0.28 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.00 1ugh h GLN 19 Cb 1.11 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 28.41 1ugh h GLN 19 CO 1.01 0.24 0.42 -1.83 -0.95 0.00 0.00 178.83 177.72 1ugh s GLU 20 N -3.04 1.00 -0.16 1.46 -1.05 -1.13 -5.03 118.70 110.74 1ugh s GLU 20 Ca -0.01 -0.40 -0.04 0.00 -0.15 0.00 0.00 54.97 54.36 1ugh s GLU 20 Cb 0.09 0.44 0.06 0.00 -0.44 0.00 0.00 34.13 34.27 1ugh s GLU 20 CO 0.79 -0.44 0.08 -1.12 0.95 0.00 0.00 175.26 175.52 1ugh s SER 21 N -2.61 2.27 -0.22 0.83 0.01 -1.26 -0.58 113.70 112.15 1ugh s SER 21 Ca 0.05 -0.56 -0.06 0.00 1.31 0.00 0.00 55.95 56.69 1ugh s SER 21 Cb -0.01 -0.27 -0.03 0.00 0.21 0.00 0.00 66.02 65.92 1ugh s SER 21 CO -0.08 -0.33 0.04 -0.63 0.41 0.00 0.00 173.24 172.64 1ugh s ILE 22 N 2.11 4.25 0.09 1.44 -1.09 -0.51 -4.84 121.20 122.65 1ugh s ILE 22 Ca 0.02 -0.21 -0.30 0.00 -2.23 0.00 0.00 60.65 57.93 1ugh s ILE 22 Cb -0.16 -2.95 -0.05 0.00 -1.58 0.00 0.00 42.46 37.72 1ugh s ILE 22 CO -0.08 0.40 1.02 -0.22 -1.23 0.00 0.00 174.94 174.82 1ugh s LEU 23 N 1.15 4.45 0.04 2.97 2.96 -1.26 -0.18 118.68 128.81 1ugh s LEU 23 Ca 0.04 1.84 0.02 0.00 -0.22 0.00 0.00 54.13 55.80 1ugh s LEU 23 Cb -0.14 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 1ugh s LEU 23 CO 0.03 -0.19 -0.07 -0.04 -1.32 0.00 0.00 176.35 174.76 1ugh s MET 24 N 0.33 0.49 0.33 1.98 -1.94 0.14 -4.97 119.30 115.65 1ugh s MET 24 Ca 0.50 -0.75 -0.25 0.00 -1.71 0.00 0.00 55.69 53.48 1ugh s MET 24 Cb -0.24 -0.19 -0.10 0.00 2.01 0.00 0.00 34.83 36.31 1ugh s MET 24 CO 0.30 0.02 0.93 -0.51 -0.01 0.00 0.00 175.02 175.76 1ugh s LEU 25 N -1.61 4.28 0.25 -0.03 1.02 -1.26 -0.66 118.68 120.67 1ugh s LEU 25 Ca -0.11 1.79 -0.13 0.00 0.02 0.00 0.00 54.13 55.71 1ugh s LEU 25 Cb -0.09 -4.07 0.33 0.00 0.02 0.00 0.00 46.19 42.38 1ugh s LEU 25 CO -0.00 -0.11 1.53 -0.81 0.02 0.00 0.00 176.35 176.98 1ugh n PRO 26 N 0.39 -0.17 0.21 1.29 -0.04 -1.26 -0.23 135.00 135.19 1ugh n PRO 26 Ca 0.02 1.53 0.09 0.00 -0.04 0.00 0.00 63.50 65.10 1ugh n PRO 26 Cb 0.51 -2.27 0.39 0.00 -0.04 0.00 0.00 33.50 32.09 1ugh n PRO 26 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1ugh h GLU 27 N 0.00 0.00 -0.52 0.54 9.09 -1.94 0.39 114.58 122.14 1ugh h GLU 27 Ca 0.40 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.71 1ugh h GLU 27 Cb 0.65 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.73 1ugh h GLU 27 CO -0.99 0.26 -0.05 1.49 0.05 0.00 0.00 179.01 179.77 1ugh h GLU 28 N 0.00 0.96 -0.11 1.06 4.81 -0.99 -1.93 114.58 118.38 1ugh h GLU 28 Ca -0.00 -0.33 -0.18 0.00 -0.13 0.00 0.00 59.36 58.71 1ugh h GLU 28 Cb 0.83 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.15 1ugh h GLU 28 CO 0.03 1.00 -0.64 0.28 -0.73 0.00 0.00 179.01 178.95 1ugh h VAL 29 N 0.83 1.33 -0.10 0.32 2.07 -0.74 -3.29 116.25 116.67 1ugh h VAL 29 Ca 0.14 -1.92 0.04 0.00 0.82 0.00 0.00 66.70 65.79 1ugh h VAL 29 Cb 0.60 2.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.46 1ugh h VAL 29 CO 0.04 0.59 -0.24 -0.08 0.02 0.00 0.00 177.57 177.89 1ugh h GLU 30 N 0.28 -0.31 -0.46 1.57 4.81 -0.08 0.48 114.58 120.87 1ugh h GLU 30 Ca -0.05 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.34 1ugh h GLU 30 Cb 1.29 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.72 1ugh h GLU 30 CO 0.13 -0.21 0.52 0.93 -0.73 0.00 0.00 179.01 179.65 1ugh h GLU 31 N -0.32 0.00 0.01 1.92 4.39 -1.42 0.37 114.58 119.52 1ugh h GLU 31 Ca 0.09 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.39 1ugh h GLU 31 Cb 0.46 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.05 1ugh h GLU 31 CO -0.29 0.00 -2.24 0.28 -1.16 0.00 0.00 179.01 175.61 1ugh n VAL 32 N -3.64 1.54 0.08 3.13 0.31 -0.23 -4.65 118.33 114.87 1ugh n VAL 32 Ca 0.09 -0.34 -0.11 0.00 -0.01 0.00 0.00 64.34 63.97 1ugh n VAL 32 Cb 0.70 -1.86 -0.03 0.00 -0.91 0.00 0.00 33.84 31.75 1ugh n VAL 32 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1ugh h ILE 33 N -0.83 1.47 0.00 2.52 1.08 0.26 -3.48 117.51 118.53 1ugh h ILE 33 Ca -0.60 -2.63 0.00 0.00 -0.39 0.00 0.00 64.86 61.24 1ugh h ILE 33 Cb 1.60 2.50 0.00 0.00 -3.07 0.00 0.00 36.82 37.85 1ugh h ILE 33 CO -0.32 0.77 0.00 0.61 -0.69 0.00 0.00 178.15 178.52 1ugh n GLY 34 N 0.96 3.47 3.11 5.37 0.00 0.13 -5.01 105.19 113.21 1ugh n GLY 34 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1ugh n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ugh s ASN 35 N -0.99 2.81 -0.32 1.61 3.04 -1.26 -5.01 114.94 114.82 1ugh s ASN 35 Ca 0.00 -0.53 -0.29 0.00 0.04 0.00 0.00 52.86 52.08 1ugh s ASN 35 Cb 0.00 -1.28 0.01 0.00 -1.54 0.00 0.00 41.25 38.43 1ugh s ASN 35 CO 0.00 0.04 1.27 -0.75 -3.04 0.00 0.00 177.10 174.61 1ugh s LYS 36 N 0.98 3.90 0.71 0.43 2.20 -1.26 -4.40 119.74 122.30 1ugh s LYS 36 Ca -0.05 1.15 -0.14 0.00 -0.36 0.00 0.00 55.97 56.57 1ugh s LYS 36 Cb -0.15 -3.87 0.03 0.00 -1.51 0.00 0.00 37.83 32.33 1ugh s LYS 36 CO -0.03 -1.14 1.15 -1.25 -0.36 0.00 0.00 175.35 173.71 1ugh s PRO 37 N 4.17 2.39 0.21 4.03 0.04 -1.26 -4.94 135.00 139.65 1ugh s PRO 37 Ca 0.54 1.52 0.16 0.00 0.04 0.00 0.00 61.00 63.26 1ugh s PRO 37 Cb -0.15 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1ugh s PRO 37 CO 0.23 -1.59 1.24 1.49 0.04 0.00 0.00 177.00 178.41 1ugh h GLU 38 N -0.32 0.00 -5.13 4.56 4.81 -1.94 -3.44 114.58 113.11 1ugh h GLU 38 Ca -0.47 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.15 1ugh h GLU 38 Cb 1.26 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.51 1ugh h GLU 38 CO 0.51 0.39 -0.52 0.45 -0.73 0.00 0.00 179.01 179.11 1ugh s SER 39 N -6.18 3.40 0.16 1.04 0.15 -1.26 -4.95 113.70 106.06 1ugh s SER 39 Ca 0.02 -1.65 -0.31 0.00 0.70 0.00 0.00 55.95 54.70 1ugh s SER 39 Cb 0.08 0.48 -0.09 0.00 -1.71 0.00 0.00 66.02 64.78 1ugh s SER 39 CO 0.77 -0.88 1.44 -1.81 1.20 0.00 0.00 173.24 173.96 1ugh s ASP 40 N -3.73 6.74 -0.16 5.45 1.11 -1.26 -4.12 116.67 120.70 1ugh s ASP 40 Ca 0.16 2.47 -0.08 0.00 0.18 0.00 0.00 52.55 55.29 1ugh s ASP 40 Cb 0.02 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 1ugh s ASP 40 CO 0.10 -0.70 0.10 -0.63 1.18 0.00 0.00 175.17 175.22 1ugh s ILE 41 N 0.86 5.13 -0.36 0.77 -1.09 0.17 -1.88 121.20 124.80 1ugh s ILE 41 Ca 0.65 0.08 -0.13 0.00 -2.23 0.00 0.00 60.65 59.02 1ugh s ILE 41 Cb -0.40 -3.29 -0.00 0.00 -1.58 0.00 0.00 42.46 37.19 1ugh s ILE 41 CO 0.33 0.51 0.25 -0.76 -1.23 0.00 0.00 174.94 174.05 1ugh s LEU 42 N -0.14 4.70 -0.80 2.97 1.43 -0.65 0.24 118.68 126.43 1ugh s LEU 42 Ca 0.09 -0.61 -0.20 0.00 -1.03 0.00 0.00 54.13 52.38 1ugh s LEU 42 Cb -0.12 -2.13 0.11 0.00 0.03 0.00 0.00 46.19 44.08 1ugh s LEU 42 CO 0.01 -0.31 1.02 -0.69 0.23 0.00 0.00 176.35 176.61 1ugh s VAL 43 N 1.70 4.61 -0.39 -1.59 1.01 0.75 -2.00 120.40 124.48 1ugh s VAL 43 Ca 0.05 -1.10 -0.27 0.00 0.00 0.00 0.00 61.98 60.66 1ugh s VAL 43 Cb -0.18 -4.71 0.02 0.00 0.00 0.00 0.00 36.38 31.51 1ugh s VAL 43 CO 0.10 -1.45 1.02 -1.00 0.00 0.00 0.00 175.10 173.77 1ugh s HIS 44 N 3.14 3.02 -0.08 5.22 0.09 -0.43 -1.42 115.29 124.82 1ugh s HIS 44 Ca 0.27 0.85 0.02 0.00 -0.00 0.00 0.00 55.06 56.19 1ugh s HIS 44 Cb -0.11 -3.88 -0.02 0.00 -0.00 0.00 0.00 32.58 28.57 1ugh s HIS 44 CO -0.01 -0.94 -0.14 0.99 -0.00 0.00 0.00 174.74 174.64 1ugh s THR 45 N 3.78 3.07 0.09 1.30 2.01 0.25 -0.30 115.64 125.84 1ugh s THR 45 Ca 0.42 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.77 1ugh s THR 45 Cb -0.11 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 1ugh s THR 45 CO 0.22 0.57 -0.12 0.00 -0.69 0.00 0.00 174.62 174.59 1ugh s ALA 46 N -0.32 1.13 -0.17 7.40 0.00 -0.33 -0.59 121.76 128.88 1ugh s ALA 46 Ca 0.03 -1.10 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 1ugh s ALA 46 Cb -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1ugh s ALA 46 CO 0.02 0.05 -0.15 -0.47 0.00 0.00 0.00 175.76 175.22 1ugh s TYR 47 N -1.91 2.81 -0.52 0.00 5.04 -1.26 -1.38 117.35 120.12 1ugh s TYR 47 Ca 0.02 -1.19 -0.22 0.00 -2.44 0.00 0.00 57.07 53.24 1ugh s TYR 47 Cb -0.06 -1.93 0.05 0.00 0.35 0.00 0.00 41.96 40.36 1ugh s TYR 47 CO 0.01 -0.58 0.77 0.34 -1.34 0.00 0.00 175.55 174.75 1ugh s ASP 48 N 1.06 6.29 0.17 4.32 -1.08 0.12 -4.89 116.67 122.66 1ugh s ASP 48 Ca -0.01 -0.60 -0.10 0.00 -0.52 0.00 0.00 52.55 51.32 1ugh s ASP 48 Cb -0.14 -2.36 0.06 0.00 -1.46 0.00 0.00 42.92 39.02 1ugh s ASP 48 CO -0.04 -1.03 1.66 1.05 0.52 0.00 0.00 175.17 177.33 1ugh h GLU 49 N 9.13 0.99 -0.32 4.34 -0.00 -1.95 0.59 114.58 127.37 1ugh h GLU 49 Ca -0.27 -0.27 0.07 0.00 -0.00 0.00 0.00 59.36 58.89 1ugh h GLU 49 Cb 1.09 -0.11 -0.08 0.00 -0.00 0.00 0.00 28.75 29.64 1ugh h GLU 49 CO 1.01 0.94 -0.32 0.77 -0.00 0.00 0.00 179.01 181.42 1ugh h SER 50 N 0.90 -1.03 0.16 3.06 0.02 -1.96 -2.34 113.55 112.36 1ugh h SER 50 Ca 0.18 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1ugh h SER 50 Cb 0.43 0.47 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1ugh h SER 50 CO 0.01 -0.33 -0.73 0.35 -1.14 0.00 0.00 176.83 175.00 1ugh n THR 51 N -5.41 0.00 -3.11 -2.27 -2.24 -1.21 -4.96 114.28 95.08 1ugh n THR 51 Ca -0.00 -0.04 -0.17 0.00 -2.27 0.00 0.00 64.05 61.57 1ugh n THR 51 Cb 0.33 0.77 0.05 0.00 -2.10 0.00 0.00 70.33 69.37 1ugh n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ugh n ASP 52 N -1.25 -5.00 -4.44 3.42 -0.08 0.19 -4.84 116.55 104.55 1ugh n ASP 52 Ca 0.06 -0.32 -0.30 0.00 -1.51 0.00 0.00 54.79 52.71 1ugh n ASP 52 Cb 0.35 -3.69 -0.13 0.00 2.34 0.00 0.00 41.12 39.99 1ugh n ASP 52 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1ugh s GLU 53 N -5.73 1.97 -0.38 -0.67 2.02 -0.32 -3.89 118.70 111.70 1ugh s GLU 53 Ca 0.35 -1.04 -0.16 0.00 0.02 0.00 0.00 54.97 54.14 1ugh s GLU 53 Cb -0.15 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 31.95 1ugh s GLU 53 CO 0.43 0.53 0.39 -0.80 0.02 0.00 0.00 175.26 175.82 1ugh s ASN 54 N -1.50 6.18 -0.25 -0.19 0.01 -0.39 0.11 114.94 118.91 1ugh s ASN 54 Ca 0.14 -0.46 -0.11 0.00 -0.71 0.00 0.00 52.86 51.73 1ugh s ASN 54 Cb -0.10 -2.20 -0.05 0.00 0.41 0.00 0.00 41.25 39.30 1ugh s ASN 54 CO 0.05 -0.44 0.17 -0.69 -1.51 0.00 0.00 177.10 174.68 1ugh s VAL 55 N 2.04 5.34 -0.14 1.60 1.01 -0.48 -1.15 120.40 128.62 1ugh s VAL 55 Ca 0.11 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1ugh s VAL 55 Cb -0.17 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.72 1ugh s VAL 55 CO 0.12 0.31 -0.13 -0.04 0.00 0.00 0.00 175.10 175.37 1ugh s MET 56 N 1.28 2.12 -0.37 2.72 -1.94 0.26 -1.19 119.30 122.18 1ugh s MET 56 Ca 0.08 -0.49 -0.15 0.00 -1.71 0.00 0.00 55.69 53.42 1ugh s MET 56 Cb -0.14 -1.98 -0.00 0.00 2.01 0.00 0.00 34.83 34.72 1ugh s MET 56 CO 0.06 -0.23 0.34 -1.17 -0.01 0.00 0.00 175.02 174.01 1ugh s LEU 57 N 1.51 4.65 -0.29 -0.03 2.96 0.59 -0.87 118.68 127.20 1ugh s LEU 57 Ca 0.04 -0.47 -0.16 0.00 -0.22 0.00 0.00 54.13 53.33 1ugh s LEU 57 Cb -0.13 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 1ugh s LEU 57 CO -0.10 -0.38 0.41 -0.76 -1.32 0.00 0.00 176.35 174.20 1ugh s LEU 58 N 1.91 4.12 0.00 -0.68 1.02 -0.21 -1.32 118.68 123.53 1ugh s LEU 58 Ca 0.09 0.22 0.01 0.00 0.02 0.00 0.00 54.13 54.47 1ugh s LEU 58 Cb -0.17 -2.47 -0.00 0.00 0.02 0.00 0.00 46.19 43.57 1ugh s LEU 58 CO 0.11 -0.25 0.03 0.35 0.02 0.00 0.00 176.35 176.61 1ugh n THR 59 N 5.18 0.00 -2.23 5.49 -2.24 -0.85 -1.27 114.28 118.35 1ugh n THR 59 Ca -0.07 -1.45 -0.26 0.00 -2.27 0.00 0.00 64.05 60.00 1ugh n THR 59 Cb 0.50 0.36 0.06 0.00 -2.10 0.00 0.00 70.33 69.15 1ugh n THR 59 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ugh s SER 60 N -2.64 4.91 0.86 3.42 1.04 -0.89 -1.63 113.70 118.76 1ugh s SER 60 Ca 0.04 0.46 -0.11 0.00 0.48 0.00 0.00 55.95 56.82 1ugh s SER 60 Cb 0.00 -1.15 0.11 0.00 0.10 0.00 0.00 66.02 65.08 1ugh s SER 60 CO 0.03 -1.53 1.14 -0.62 0.98 0.00 0.00 173.24 173.24 1ugh s ASP 61 N -4.49 3.44 0.70 7.02 -1.08 -0.79 -3.95 116.67 117.52 1ugh s ASP 61 Ca 0.59 2.13 -0.16 0.00 -0.52 0.00 0.00 52.55 54.59 1ugh s ASP 61 Cb -0.11 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 1ugh s ASP 61 CO 0.44 -2.76 1.07 0.00 0.52 0.00 0.00 175.17 174.45 1ugh n ALA 62 N -3.88 0.17 -0.47 3.66 0.00 -1.26 -3.19 120.51 115.54 1ugh n ALA 62 Ca 0.11 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1ugh n ALA 62 Cb 0.52 -2.18 0.25 0.00 0.00 0.00 0.00 19.45 18.04 1ugh n ALA 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ugh n PRO 63 N -1.91 3.09 -0.03 0.00 -0.04 -1.26 -4.88 135.00 129.97 1ugh n PRO 63 Ca 0.14 -2.49 -0.16 0.00 -0.04 0.00 0.00 63.50 60.95 1ugh n PRO 63 Cb 0.49 -1.57 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 1ugh n PRO 63 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1ugh h GLU 64 N 2.81 0.12 -5.76 0.54 4.11 -1.89 -3.48 114.58 111.02 1ugh h GLU 64 Ca 0.00 -0.18 -0.35 0.00 0.07 0.00 0.00 59.36 58.90 1ugh h GLU 64 Cb 1.08 0.06 0.14 0.00 0.50 0.00 0.00 28.75 30.53 1ugh h GLU 64 CO 0.10 1.03 -0.79 0.66 0.07 0.00 0.00 179.01 180.08 1ugh n TYR 65 N -4.46 -2.12 -2.42 2.06 4.01 -1.19 -4.94 117.16 108.08 1ugh n TYR 65 Ca -0.11 0.91 -0.43 0.00 -0.16 0.00 0.00 57.90 58.11 1ugh n TYR 65 Cb 0.57 -4.85 -0.02 0.00 -0.31 0.00 0.00 39.34 34.73 1ugh n TYR 65 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1ugh s LYS 66 N -5.49 4.25 0.29 -0.72 -2.85 -1.26 -4.55 119.74 109.42 1ugh s LYS 66 Ca 0.02 1.67 -0.29 0.00 -1.00 0.00 0.00 55.97 56.38 1ugh s LYS 66 Cb -0.00 -3.74 -0.13 0.00 -2.06 0.00 0.00 37.83 31.90 1ugh s LYS 66 CO 0.75 -0.67 1.15 -2.30 0.10 0.00 0.00 175.35 174.38 1ugh n PRO 67 N 6.40 1.66 0.00 1.78 -0.02 -1.26 -2.10 135.00 141.46 1ugh n PRO 67 Ca 0.13 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1ugh n PRO 67 Cb 0.45 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1ugh n PRO 67 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1ugh n TRP 68 N 0.50 0.00 -3.56 6.00 -0.00 -0.40 -4.86 117.44 115.13 1ugh n TRP 68 Ca 0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.50 1ugh n TRP 68 Cb 0.33 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.60 1ugh n TRP 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1ugh s ALA 69 N -1.64 -1.92 -0.17 5.87 0.00 -1.10 -2.48 121.76 120.33 1ugh s ALA 69 Ca 0.00 1.41 0.01 0.00 0.00 0.00 0.00 51.96 53.38 1ugh s ALA 69 Cb 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.85 1ugh s ALA 69 CO 0.00 -0.47 -0.20 -1.17 0.00 0.00 0.00 175.76 173.92 1ugh s LEU 70 N -1.71 2.15 -0.13 0.00 2.96 -0.38 -1.04 118.68 120.52 1ugh s LEU 70 Ca 0.02 -0.63 0.01 0.00 -0.22 0.00 0.00 54.13 53.32 1ugh s LEU 70 Cb -0.01 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.20 1ugh s LEU 70 CO -0.03 0.02 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.16 1ugh s VAL 71 N 1.17 2.62 -0.16 1.68 1.01 -0.05 -0.41 120.40 126.27 1ugh s VAL 71 Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1ugh s VAL 71 Cb -0.14 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 1ugh s VAL 71 CO -0.10 0.53 -0.15 -0.63 0.00 0.00 0.00 175.10 174.76 1ugh s ILE 72 N 0.47 2.71 -0.12 2.22 -1.09 -0.58 -0.58 121.20 124.23 1ugh s ILE 72 Ca -0.12 -0.76 0.01 0.00 -2.23 0.00 0.00 60.65 57.55 1ugh s ILE 72 Cb -0.16 -2.15 -0.01 0.00 -1.58 0.00 0.00 42.46 38.56 1ugh s ILE 72 CO 0.05 0.51 -0.15 -1.58 -1.23 0.00 0.00 174.94 172.54 1ugh s GLN 73 N 0.81 3.32 0.52 2.79 0.74 -0.30 0.91 119.66 128.44 1ugh s GLN 73 Ca -0.05 -0.72 0.06 0.00 0.05 0.00 0.00 55.36 54.69 1ugh s GLN 73 Cb -0.15 -2.56 0.05 0.00 1.10 0.00 0.00 33.01 31.44 1ugh s GLN 73 CO 0.00 0.21 0.72 0.16 -0.55 0.00 0.00 175.29 175.83 1ugh s ASP 74 N 0.34 5.29 0.27 6.67 1.47 -0.76 -1.27 116.67 128.69 1ugh s ASP 74 Ca -0.12 -0.43 0.00 0.00 1.18 0.00 0.00 52.55 53.18 1ugh s ASP 74 Cb -0.16 -0.40 0.58 0.00 -0.34 0.00 0.00 42.92 42.60 1ugh s ASP 74 CO 0.06 -1.11 1.74 0.28 0.68 0.00 0.00 175.17 176.83 1ugh h SER 75 N 0.27 0.47 0.00 2.11 0.02 -1.89 0.45 113.55 114.98 1ugh h SER 75 Ca -0.38 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1ugh h SER 75 Cb 1.28 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1ugh h SER 75 CO 0.45 0.16 0.00 -0.46 -1.14 0.00 0.00 176.83 175.84 1ugh n ASN 76 N -4.92 0.17 -0.61 3.07 0.23 -1.26 -4.82 115.26 107.13 1ugh n ASN 76 Ca 0.18 -1.35 -0.06 0.00 -0.53 0.00 0.00 54.58 52.82 1ugh n ASN 76 Cb 0.49 -0.09 -0.02 0.00 -2.08 0.00 0.00 39.78 38.09 1ugh n ASN 76 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ugh n GLY 77 N 0.17 0.50 3.74 4.83 0.00 0.15 -5.03 105.19 109.55 1ugh n GLY 77 Ca 0.00 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 1ugh n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ugh s GLU 78 N -3.40 4.21 -0.10 1.61 2.56 -1.24 -4.89 118.70 117.43 1ugh s GLU 78 Ca 0.00 0.16 -0.15 0.00 0.00 0.00 0.00 54.97 54.97 1ugh s GLU 78 Cb 0.00 -3.40 -0.05 0.00 2.00 0.00 0.00 34.13 32.68 1ugh s GLU 78 CO 0.00 0.28 0.38 -0.80 -0.56 0.00 0.00 175.26 174.57 1ugh s ASN 79 N 0.31 6.62 -0.50 -1.70 0.01 -1.26 -1.82 114.94 116.59 1ugh s ASN 79 Ca 0.18 0.73 0.04 0.00 -0.71 0.00 0.00 52.86 53.10 1ugh s ASN 79 Cb -0.13 -2.23 0.13 0.00 0.41 0.00 0.00 41.25 39.42 1ugh s ASN 79 CO 0.05 0.13 0.24 -0.54 -1.51 0.00 0.00 177.10 175.47 1ugh s LYS 80 N 0.10 1.94 0.34 -0.60 1.02 0.26 -4.93 119.74 117.86 1ugh s LYS 80 Ca 0.22 -2.54 -0.27 0.00 0.02 0.00 0.00 55.97 53.40 1ugh s LYS 80 Cb -0.15 -3.32 -0.09 0.00 -0.52 0.00 0.00 37.83 33.75 1ugh s LYS 80 CO 0.08 -1.09 1.10 0.42 -0.92 0.00 0.00 175.35 174.94 1ugh s ILE 81 N -0.15 3.48 -0.37 2.17 1.01 -1.26 -1.53 121.20 124.55 1ugh s ILE 81 Ca 0.16 1.34 0.03 0.00 0.00 0.00 0.00 60.65 62.18 1ugh s ILE 81 Cb -0.25 -3.79 0.16 0.00 0.01 0.00 0.00 42.46 38.58 1ugh s ILE 81 CO -0.01 0.21 0.39 -0.75 0.00 0.00 0.00 174.94 174.78 1ugh s LYS 82 N -1.91 0.63 0.46 2.79 2.36 0.46 -4.98 119.74 119.55 1ugh s LYS 82 Ca 0.51 -0.77 -0.25 0.00 -2.55 0.00 0.00 55.97 52.91 1ugh s LYS 82 Cb -0.29 -0.66 -0.08 0.00 -1.05 0.00 0.00 37.83 35.75 1ugh s LYS 82 CO 0.37 -1.18 1.34 -1.33 1.55 0.00 0.00 175.35 176.09 1ugh n MET 83 N 4.32 1.99 0.00 4.03 2.81 -1.26 -1.25 117.12 127.75 1ugh n MET 83 Ca 0.10 0.71 0.04 0.00 -1.81 0.00 0.00 57.70 56.75 1ugh n MET 83 Cb 0.46 -2.50 0.04 0.00 -0.71 0.00 0.00 33.22 30.51 1ugh n MET 83 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76