#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uug h LEU 4 N 0.00 0.42 -1.29 -4.53 3.38 -2.00 -3.12 115.31 108.17 2uug h LEU 4 Ca 0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2uug h LEU 4 Cb 0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2uug h LEU 4 CO 0.00 0.87 0.32 -1.28 0.09 0.00 0.00 178.44 178.44 2uug h SER 5 N 0.30 0.71 -0.54 -0.43 0.87 -2.01 -2.43 113.55 110.03 2uug h SER 5 Ca 0.01 -0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.42 2uug h SER 5 Cb 1.02 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 2uug h SER 5 CO 0.09 0.58 -0.06 0.44 -0.53 0.00 0.00 176.83 177.35 2uug h ASP 6 N 0.81 0.98 -0.03 6.23 3.32 -1.91 -2.39 116.42 123.43 2uug h ASP 6 Ca 0.21 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 2uug h ASP 6 Cb 0.02 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 2uug h ASP 6 CO -0.03 1.08 0.01 0.40 -1.72 0.00 0.00 179.24 178.98 2uug h ILE 7 N 0.87 1.02 -0.19 0.35 2.04 -1.44 0.79 117.51 120.94 2uug h ILE 7 Ca 0.15 -0.05 -0.12 0.00 1.00 0.00 0.00 64.86 65.83 2uug h ILE 7 Cb 0.61 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2uug h ILE 7 CO 0.04 0.02 -0.35 0.40 0.00 0.00 0.00 178.15 178.26 2uug h ILE 8 N 0.05 1.33 0.00 -0.67 2.04 -1.19 -2.84 117.51 116.24 2uug h ILE 8 Ca 0.01 -1.58 -0.09 0.00 1.00 0.00 0.00 64.86 64.20 2uug h ILE 8 Cb 0.01 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 2uug h ILE 8 CO -0.00 0.49 -0.45 -0.08 0.00 0.00 0.00 178.15 178.11 2uug h GLU 9 N 0.24 0.00 -0.36 2.37 4.81 -0.67 -1.49 114.58 119.48 2uug h GLU 9 Ca 0.01 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 2uug h GLU 9 Cb 0.95 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2uug h GLU 9 CO 0.08 0.45 -0.23 -0.22 -0.73 0.00 0.00 179.01 178.35 2uug h LYS 10 N 0.00 0.72 0.00 1.92 3.64 0.61 0.54 116.57 124.00 2uug h LYS 10 Ca -0.00 -0.29 -0.25 0.00 -1.27 0.00 0.00 60.65 58.84 2uug h LYS 10 Cb 0.90 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.64 2uug h LYS 10 CO 0.06 0.89 -1.94 0.39 -2.27 0.00 0.00 179.45 176.58 2uug n GLU 11 N -4.11 0.66 -0.01 1.90 -0.58 -1.08 -4.66 120.64 112.75 2uug n GLU 11 Ca -0.00 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 2uug n GLU 11 Cb 0.43 -1.65 -0.03 0.00 -0.57 0.00 0.00 31.44 29.62 2uug n GLU 11 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2uug n THR 12 N -2.77 0.12 -0.70 2.62 -2.24 -0.57 -5.01 114.28 105.72 2uug n THR 12 Ca -0.19 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2uug n THR 12 Cb 0.97 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 2uug n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2uug n GLY 13 N 2.50 0.84 3.74 3.38 0.00 0.18 -5.02 105.19 110.82 2uug n GLY 13 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 2uug n GLY 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uug s LYS 14 N -0.30 3.77 -0.47 1.61 -2.85 -1.26 -4.96 119.74 115.27 2uug s LYS 14 Ca 0.00 -0.25 -0.21 0.00 -1.00 0.00 0.00 55.97 54.51 2uug s LYS 14 Cb 0.00 -3.22 0.04 0.00 -2.06 0.00 0.00 37.83 32.59 2uug s LYS 14 CO 0.00 0.49 0.68 -0.65 0.10 0.00 0.00 175.35 175.96 2uug s GLN 15 N -0.20 3.24 0.12 1.78 -0.21 -1.26 -3.58 119.66 119.54 2uug s GLN 15 Ca 0.09 -0.52 0.05 0.00 0.02 0.00 0.00 55.36 55.00 2uug s GLN 15 Cb -0.12 -4.01 -0.04 0.00 1.00 0.00 0.00 33.01 29.84 2uug s GLN 15 CO 0.01 -1.14 -0.12 -0.51 -2.12 0.00 0.00 175.29 171.41 2uug s LEU 16 N 2.92 2.43 -0.16 2.90 1.43 -1.26 -5.12 118.68 121.82 2uug s LEU 16 Ca 0.21 -0.85 -0.07 0.00 -1.03 0.00 0.00 54.13 52.40 2uug s LEU 16 Cb -0.15 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.62 2uug s LEU 16 CO 0.17 -0.23 0.07 0.68 0.23 0.00 0.00 176.35 177.27 2uug s VAL 17 N -2.50 4.91 -0.26 -1.59 -7.23 -1.26 -4.84 120.40 107.63 2uug s VAL 17 Ca 0.09 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.97 2uug s VAL 17 Cb -0.03 -3.18 -0.01 0.00 0.56 0.00 0.00 36.38 33.73 2uug s VAL 17 CO 0.01 0.51 1.36 -0.63 -0.31 0.00 0.00 175.10 176.05 2uug s ILE 18 N -0.07 4.06 0.02 -0.62 1.01 -1.26 -4.48 121.20 119.86 2uug s ILE 18 Ca 0.07 1.22 0.10 0.00 0.00 0.00 0.00 60.65 62.04 2uug s ILE 18 Cb -0.12 -4.03 -0.22 0.00 0.01 0.00 0.00 42.46 38.10 2uug s ILE 18 CO 0.01 -0.38 0.89 1.56 0.00 0.00 0.00 174.94 177.02 2uug h GLN 19 N 9.41 0.01 -2.94 2.79 4.20 -1.66 -3.49 115.11 123.44 2uug h GLN 19 Ca -0.28 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.36 2uug h GLN 19 Cb 1.11 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.74 2uug h GLN 19 CO 1.02 0.69 0.00 -1.83 -0.67 0.00 0.00 178.83 178.04 2uug s GLU 20 N -2.64 1.03 -0.32 1.46 -1.05 -1.16 -5.05 118.70 110.97 2uug s GLU 20 Ca -0.03 -0.35 -0.02 0.00 -0.15 0.00 0.00 54.97 54.43 2uug s GLU 20 Cb 0.09 0.47 0.11 0.00 -0.44 0.00 0.00 34.13 34.35 2uug s GLU 20 CO 0.82 -0.38 0.13 -1.12 0.95 0.00 0.00 175.26 175.67 2uug s SER 21 N -2.16 3.70 -0.25 0.83 0.01 -1.26 -1.00 113.70 113.58 2uug s SER 21 Ca -0.04 -1.64 -0.18 0.00 1.31 0.00 0.00 55.95 55.40 2uug s SER 21 Cb -0.00 -0.63 -0.03 0.00 0.21 0.00 0.00 66.02 65.57 2uug s SER 21 CO -0.04 -0.40 0.54 -0.63 0.41 0.00 0.00 173.24 173.11 2uug s ILE 22 N 1.64 5.06 0.22 1.44 -1.09 -0.71 -4.80 121.20 122.95 2uug s ILE 22 Ca 0.11 0.94 -0.30 0.00 -2.23 0.00 0.00 60.65 59.17 2uug s ILE 22 Cb -0.18 -3.85 -0.09 0.00 -1.58 0.00 0.00 42.46 36.76 2uug s ILE 22 CO -0.25 0.09 1.23 -0.22 -1.23 0.00 0.00 174.94 174.56 2uug s LEU 23 N 2.24 4.45 -0.03 2.97 2.96 -1.26 -0.15 118.68 129.87 2uug s LEU 23 Ca 0.23 2.33 -0.01 0.00 -0.22 0.00 0.00 54.13 56.46 2uug s LEU 23 Cb -0.16 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 42.94 2uug s LEU 23 CO 0.09 -0.40 0.06 -0.04 -1.32 0.00 0.00 176.35 174.74 2uug s MET 24 N -0.54 0.02 0.54 1.98 -1.94 0.17 -4.93 119.30 114.60 2uug s MET 24 Ca 0.52 0.19 -0.18 0.00 -1.71 0.00 0.00 55.69 54.51 2uug s MET 24 Cb -0.34 -0.15 -0.06 0.00 2.01 0.00 0.00 34.83 36.29 2uug s MET 24 CO 0.39 -0.12 1.07 -0.51 -0.01 0.00 0.00 175.02 175.84 2uug s LEU 25 N 0.77 3.69 0.30 -0.03 1.43 -1.26 -0.76 118.68 122.82 2uug s LEU 25 Ca -0.06 1.95 0.04 0.00 -1.03 0.00 0.00 54.13 55.02 2uug s LEU 25 Cb -0.09 -4.56 0.79 0.00 0.03 0.00 0.00 46.19 42.36 2uug s LEU 25 CO -0.03 -1.05 1.61 -0.65 0.23 0.00 0.00 176.35 176.46 2uug h PRO 26 N 1.04 0.10 -0.64 1.29 0.11 -1.86 -1.13 132.00 130.90 2uug h PRO 26 Ca -0.49 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2uug h PRO 26 Cb 1.23 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2uug h PRO 26 CO 0.58 0.06 0.26 0.93 -0.21 0.00 0.00 178.00 179.62 2uug h GLU 27 N 0.10 0.95 0.29 1.05 3.07 -1.93 -1.80 114.58 116.31 2uug h GLU 27 Ca 0.60 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 59.27 2uug h GLU 27 Cb 1.27 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 2uug h GLU 27 CO -0.78 0.80 -0.14 0.93 -1.40 0.00 0.00 179.01 178.42 2uug h GLU 28 N 0.89 -0.37 0.00 2.33 5.08 -1.58 -2.82 114.58 118.11 2uug h GLU 28 Ca 0.21 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2uug h GLU 28 Cb 0.20 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2uug h GLU 28 CO -0.02 -0.23 0.00 1.33 -1.00 0.00 0.00 179.01 179.09 2uug n VAL 29 N -5.25 0.09 -0.07 3.13 0.24 -1.13 -3.55 118.33 111.80 2uug n VAL 29 Ca -0.10 0.02 -0.15 0.00 -2.04 0.00 0.00 64.34 62.08 2uug n VAL 29 Cb 0.18 -0.56 -0.06 0.00 -1.47 0.00 0.00 33.84 31.93 2uug n VAL 29 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2uug h GLU 30 N 0.00 0.67 0.31 7.34 4.81 -1.06 -2.34 114.58 124.31 2uug h GLU 30 Ca 0.00 -0.42 -0.02 0.00 -0.13 0.00 0.00 59.36 58.79 2uug h GLU 30 Cb 0.26 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2uug h GLU 30 CO 0.00 1.04 -0.15 0.93 -0.73 0.00 0.00 179.01 180.10 2uug h GLU 31 N 0.37 -0.40 0.13 1.92 5.08 -1.60 0.10 114.58 120.18 2uug h GLU 31 Ca 0.01 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2uug h GLU 31 Cb 1.01 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 2uug h GLU 31 CO 0.09 -0.27 -0.47 -0.24 -1.00 0.00 0.00 179.01 177.13 2uug h VAL 32 N -0.44 0.09 -0.63 3.13 3.04 -1.71 -2.90 116.25 116.83 2uug h VAL 32 Ca -0.04 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.56 2uug h VAL 32 Cb 0.32 0.09 -0.02 0.00 -2.01 0.00 0.00 31.29 29.66 2uug h VAL 32 CO 0.07 0.00 0.05 0.40 -1.01 0.00 0.00 177.57 177.08 2uug h ILE 33 N -0.71 1.26 -1.82 3.17 1.08 -1.54 -3.47 117.51 115.48 2uug h ILE 33 Ca 0.01 -1.10 0.00 0.00 -0.39 0.00 0.00 64.86 63.38 2uug h ILE 33 Cb 0.72 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 35.19 2uug h ILE 33 CO -0.26 0.40 0.00 0.61 -0.69 0.00 0.00 178.15 178.21 2uug n GLY 34 N -0.51 0.50 0.00 5.37 0.00 0.35 -5.06 105.19 105.84 2uug n GLY 34 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2uug n GLY 34 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2uug n ASN 35 N -0.91 0.00 -4.67 1.61 4.05 -1.10 -5.06 115.26 109.18 2uug n ASN 35 Ca 0.00 0.00 -0.42 0.00 0.45 0.00 0.00 54.58 54.61 2uug n ASN 35 Cb 0.43 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.41 2uug n ASN 35 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 2uug s LYS 36 N 0.00 4.32 0.57 1.20 2.20 -1.26 -4.25 119.74 122.52 2uug s LYS 36 Ca 0.00 1.14 -0.16 0.00 -0.36 0.00 0.00 55.97 56.59 2uug s LYS 36 Cb 0.00 -3.57 -0.05 0.00 -1.51 0.00 0.00 37.83 32.70 2uug s LYS 36 CO 0.00 -0.36 1.03 -1.25 -0.36 0.00 0.00 175.35 174.41 2uug s PRO 37 N 2.24 3.52 0.45 4.03 0.04 -1.26 -4.98 135.00 139.04 2uug s PRO 37 Ca 0.41 1.10 0.21 0.00 0.04 0.00 0.00 61.00 62.77 2uug s PRO 37 Cb -0.17 -2.07 1.07 0.00 0.04 0.00 0.00 34.50 33.37 2uug s PRO 37 CO 0.13 -0.63 1.93 1.49 0.04 0.00 0.00 177.00 179.95 2uug h GLU 38 N 0.54 0.00 0.00 4.56 4.81 -1.97 -3.44 114.58 119.07 2uug h GLU 38 Ca -0.47 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 2uug h GLU 38 Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2uug h GLU 38 CO 0.59 0.24 -0.02 0.45 -0.73 0.00 0.00 179.01 179.54 2uug n SER 39 N -3.74 -0.11 -4.75 1.04 2.88 -1.26 -5.06 113.62 102.62 2uug n SER 39 Ca -0.01 -1.18 -0.41 0.00 -1.33 0.00 0.00 58.87 55.94 2uug n SER 39 Cb 0.34 0.22 -0.02 0.00 -0.75 0.00 0.00 64.21 64.00 2uug n SER 39 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2uug s ASP 40 N -1.20 6.66 0.03 -3.46 1.01 -1.26 -4.30 116.67 114.15 2uug s ASP 40 Ca 0.03 2.70 0.03 0.00 0.71 0.00 0.00 52.55 56.02 2uug s ASP 40 Cb -0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 2uug s ASP 40 CO 0.02 -0.68 -0.03 -0.63 0.21 0.00 0.00 175.17 174.06 2uug s ILE 41 N -0.32 3.89 -0.24 0.77 -1.09 0.06 -2.48 121.20 121.78 2uug s ILE 41 Ca 0.57 -0.80 -0.05 0.00 -2.23 0.00 0.00 60.65 58.13 2uug s ILE 41 Cb -0.42 -2.75 -0.01 0.00 -1.58 0.00 0.00 42.46 37.70 2uug s ILE 41 CO 0.47 0.30 0.00 -0.76 -1.23 0.00 0.00 174.94 173.72 2uug s LEU 42 N -1.73 3.20 -0.70 2.97 1.43 0.19 0.41 118.68 124.46 2uug s LEU 42 Ca 0.20 -0.46 -0.21 0.00 -1.03 0.00 0.00 54.13 52.63 2uug s LEU 42 Cb -0.11 -1.79 0.09 0.00 0.03 0.00 0.00 46.19 44.40 2uug s LEU 42 CO 0.11 -0.07 0.95 -0.69 0.23 0.00 0.00 176.35 176.89 2uug s VAL 43 N 1.49 4.48 -0.58 -1.59 1.01 0.79 -1.81 120.40 124.20 2uug s VAL 43 Ca 0.05 -0.69 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 2uug s VAL 43 Cb -0.15 -4.67 0.03 0.00 0.00 0.00 0.00 36.38 31.58 2uug s VAL 43 CO -0.01 -1.42 1.24 -1.00 0.00 0.00 0.00 175.10 173.91 2uug s HIS 44 N 3.59 2.54 -0.17 5.22 0.09 0.97 -1.74 115.29 125.80 2uug s HIS 44 Ca 0.22 0.42 -0.07 0.00 -0.00 0.00 0.00 55.06 55.64 2uug s HIS 44 Cb -0.16 -4.50 -0.04 0.00 -0.00 0.00 0.00 32.58 27.89 2uug s HIS 44 CO 0.06 -1.67 0.05 0.99 -0.00 0.00 0.00 174.74 174.17 2uug s THR 45 N 5.16 4.72 -0.00 1.30 2.01 -0.17 0.53 115.64 129.19 2uug s THR 45 Ca 0.45 -0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.41 2uug s THR 45 Cb -0.08 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.32 2uug s THR 45 CO 0.25 0.49 -0.09 0.00 -0.69 0.00 0.00 174.62 174.58 2uug s ALA 46 N 0.16 0.71 -0.07 7.40 0.00 -0.32 -1.48 121.76 128.16 2uug s ALA 46 Ca 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 51.96 51.59 2uug s ALA 46 Cb -0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 2uug s ALA 46 CO 0.01 0.17 0.05 -0.47 0.00 0.00 0.00 175.76 175.52 2uug s TYR 47 N -0.25 3.28 -0.61 0.00 5.04 -1.26 -1.12 117.35 122.42 2uug s TYR 47 Ca 0.03 0.26 0.04 0.00 -2.44 0.00 0.00 57.07 54.97 2uug s TYR 47 Cb -0.04 -1.80 0.16 0.00 0.35 0.00 0.00 41.96 40.63 2uug s TYR 47 CO -0.00 0.55 0.41 0.34 -1.34 0.00 0.00 175.55 175.50 2uug s ASP 48 N -1.16 4.28 0.64 4.32 2.15 -0.76 -4.84 116.67 121.31 2uug s ASP 48 Ca 0.16 -3.50 0.28 0.00 0.43 0.00 0.00 52.55 49.92 2uug s ASP 48 Cb -0.12 -1.46 1.47 0.00 -0.30 0.00 0.00 42.92 42.51 2uug s ASP 48 CO 0.06 -0.14 1.85 1.05 -0.17 0.00 0.00 175.17 177.82 2uug h GLU 49 N 5.76 0.00 -0.63 4.34 9.09 -1.95 -0.13 114.58 131.06 2uug h GLU 49 Ca 0.10 0.00 0.05 0.00 0.05 0.00 0.00 59.36 59.56 2uug h GLU 49 Cb 0.81 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.87 2uug h GLU 49 CO 0.66 0.00 0.42 1.03 0.05 0.00 0.00 179.01 181.17 2uug h SER 50 N 0.00 0.59 0.00 3.06 0.87 -1.95 -3.15 113.55 112.97 2uug h SER 50 Ca 0.07 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2uug h SER 50 Cb 0.93 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 2uug h SER 50 CO -0.00 0.39 0.00 0.35 -0.53 0.00 0.00 176.83 177.04 2uug n THR 51 N -4.47 0.30 -2.14 2.23 -2.24 -0.20 -5.00 114.28 102.76 2uug n THR 51 Ca 0.09 -0.53 -0.18 0.00 -2.27 0.00 0.00 64.05 61.15 2uug n THR 51 Cb 0.20 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 2uug n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2uug n ASP 52 N -0.15 -5.07 -4.96 3.42 2.03 -0.37 -4.67 116.55 106.78 2uug n ASP 52 Ca 0.00 0.18 -0.23 0.00 0.52 0.00 0.00 54.79 55.26 2uug n ASP 52 Cb 0.16 -4.33 -0.02 0.00 -0.72 0.00 0.00 41.12 36.20 2uug n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2uug s GLU 53 N -4.57 3.44 -0.24 -0.67 2.02 -1.20 -3.76 118.70 113.71 2uug s GLU 53 Ca 0.00 -0.70 -0.02 0.00 0.02 0.00 0.00 54.97 54.27 2uug s GLU 53 Cb 0.00 -2.91 0.02 0.00 0.10 0.00 0.00 34.13 31.34 2uug s GLU 53 CO 0.00 0.45 -0.06 -0.80 0.02 0.00 0.00 175.26 174.87 2uug s ASN 54 N -3.76 4.27 -0.29 -0.19 0.01 0.59 -1.82 114.94 113.73 2uug s ASN 54 Ca 0.34 -0.80 -0.13 0.00 -0.71 0.00 0.00 52.86 51.57 2uug s ASN 54 Cb -0.10 -1.67 -0.04 0.00 0.41 0.00 0.00 41.25 39.86 2uug s ASN 54 CO 0.29 -0.11 0.27 -0.69 -1.51 0.00 0.00 177.10 175.35 2uug s VAL 55 N 1.35 5.25 -0.17 1.60 1.01 -0.27 -0.94 120.40 128.21 2uug s VAL 55 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2uug s VAL 55 Cb -0.16 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.59 2uug s VAL 55 CO -0.05 0.14 -0.17 -0.04 0.00 0.00 0.00 175.10 174.98 2uug s MET 56 N 1.88 3.09 -0.34 2.72 -1.94 0.11 -1.18 119.30 123.64 2uug s MET 56 Ca 0.10 -0.79 -0.10 0.00 -1.71 0.00 0.00 55.69 53.19 2uug s MET 56 Cb -0.16 -2.62 0.01 0.00 2.01 0.00 0.00 34.83 34.07 2uug s MET 56 CO 0.11 -0.13 0.18 -1.17 -0.01 0.00 0.00 175.02 173.99 2uug s LEU 57 N 1.15 4.39 -0.16 -0.03 0.20 0.19 -0.66 118.68 123.75 2uug s LEU 57 Ca 0.01 -0.75 -0.17 0.00 0.69 0.00 0.00 54.13 53.92 2uug s LEU 57 Cb -0.14 -2.01 -0.04 0.00 -0.43 0.00 0.00 46.19 43.57 2uug s LEU 57 CO -0.07 -0.28 0.42 -0.76 -0.29 0.00 0.00 176.35 175.37 2uug s LEU 58 N 1.58 4.23 0.30 -0.68 1.02 -0.58 -0.02 118.68 124.53 2uug s LEU 58 Ca 0.03 0.66 0.03 0.00 0.02 0.00 0.00 54.13 54.87 2uug s LEU 58 Cb -0.18 -2.58 -0.05 0.00 0.02 0.00 0.00 46.19 43.40 2uug s LEU 58 CO 0.06 -0.02 0.10 0.42 0.02 0.00 0.00 176.35 176.93 2uug s THR 59 N 0.86 0.74 1.06 5.49 -4.23 -0.75 -0.44 115.64 118.37 2uug s THR 59 Ca 0.22 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.56 2uug s THR 59 Cb -0.15 -2.64 0.23 0.00 1.34 0.00 0.00 72.50 71.29 2uug s THR 59 CO 0.08 0.00 1.22 -0.94 -0.54 0.00 0.00 174.62 174.44 2uug s SER 60 N -3.41 2.25 1.15 3.99 1.04 -0.54 -0.63 113.70 117.54 2uug s SER 60 Ca 0.35 0.46 -0.17 0.00 0.48 0.00 0.00 55.95 57.08 2uug s SER 60 Cb 0.07 -0.63 0.26 0.00 0.10 0.00 0.00 66.02 65.82 2uug s SER 60 CO 0.15 -3.28 1.09 -0.62 0.98 0.00 0.00 173.24 171.56 2uug s ASP 61 N -4.43 1.37 0.53 7.02 -1.08 -1.04 -3.86 116.67 115.19 2uug s ASP 61 Ca 0.72 0.85 -0.20 0.00 -0.52 0.00 0.00 52.55 53.40 2uug s ASP 61 Cb -0.07 -1.26 -0.06 0.00 -1.46 0.00 0.00 42.92 40.07 2uug s ASP 61 CO 0.54 -3.87 1.14 0.00 0.52 0.00 0.00 175.17 173.50 2uug s ALA 62 N -2.94 2.74 -2.52 3.66 0.00 -1.26 -2.05 121.76 119.39 2uug s ALA 62 Ca 0.69 0.86 0.23 0.00 0.00 0.00 0.00 51.96 53.74 2uug s ALA 62 Cb -0.13 -3.37 0.46 0.00 0.00 0.00 0.00 23.12 20.08 2uug s ALA 62 CO 0.57 -0.76 1.42 -0.35 0.00 0.00 0.00 175.76 176.63 2uug n PRO 63 N -1.15 2.34 0.06 0.00 -0.04 -1.26 -4.87 135.00 130.08 2uug n PRO 63 Ca 0.11 -2.01 -0.13 0.00 -0.04 0.00 0.00 63.50 61.43 2uug n PRO 63 Cb 0.50 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.39 2uug n PRO 63 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2uug h GLU 64 N 4.08 -0.14 -6.18 0.54 3.07 -1.87 -3.47 114.58 110.61 2uug h GLU 64 Ca 0.00 0.01 -0.45 0.00 -0.50 0.00 0.00 59.36 58.42 2uug h GLU 64 Cb 0.89 0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.84 2uug h GLU 64 CO 0.00 0.17 -0.76 0.66 -1.40 0.00 0.00 179.01 177.67 2uug n TYR 65 N -5.01 -2.30 -2.03 4.33 4.01 -0.87 -4.88 117.16 110.40 2uug n TYR 65 Ca -0.08 0.91 -0.43 0.00 -0.16 0.00 0.00 57.90 58.14 2uug n TYR 65 Cb 0.20 -4.24 -0.03 0.00 -0.31 0.00 0.00 39.34 34.96 2uug n TYR 65 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2uug s LYS 66 N -6.42 3.87 -0.03 -0.72 -0.14 -1.26 -4.59 119.74 110.44 2uug s LYS 66 Ca 0.50 1.87 -0.36 0.00 -1.36 0.00 0.00 55.97 56.63 2uug s LYS 66 Cb -0.25 -4.05 -0.14 0.00 -1.68 0.00 0.00 37.83 31.72 2uug s LYS 66 CO 0.81 -1.21 1.70 -2.30 -0.76 0.00 0.00 175.35 173.59 2uug n PRO 67 N 7.58 1.84 -0.08 -1.68 -0.02 -1.26 -1.47 135.00 139.90 2uug n PRO 67 Ca 0.19 0.67 -0.14 0.00 -2.02 0.00 0.00 63.50 62.20 2uug n PRO 67 Cb 0.44 -2.44 -0.07 0.00 -0.02 0.00 0.00 33.50 31.42 2uug n PRO 67 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 2uug n TRP 68 N 4.97 0.00 -3.67 6.00 -0.00 0.42 -4.84 117.44 120.32 2uug n TRP 68 Ca 0.21 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.65 2uug n TRP 68 Cb 0.25 -0.61 -0.02 0.00 -0.00 0.00 0.00 31.31 30.93 2uug n TRP 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2uug s ALA 69 N -2.31 -1.61 -0.13 5.87 0.00 -1.08 -2.23 121.76 120.26 2uug s ALA 69 Ca -0.22 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.05 2uug s ALA 69 Cb 0.07 0.65 0.02 0.00 0.00 0.00 0.00 23.12 23.86 2uug s ALA 69 CO 0.34 -0.93 -0.14 -1.17 0.00 0.00 0.00 175.76 173.86 2uug s LEU 70 N -2.81 1.67 -0.11 0.00 2.96 -0.08 -1.53 118.68 118.79 2uug s LEU 70 Ca 0.09 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 2uug s LEU 70 Cb -0.02 -1.12 -0.00 0.00 0.50 0.00 0.00 46.19 45.55 2uug s LEU 70 CO -0.01 -0.03 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.08 2uug s VAL 71 N 1.30 2.25 -0.14 1.68 1.01 0.16 -1.19 120.40 125.47 2uug s VAL 71 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2uug s VAL 71 Cb -0.14 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.36 2uug s VAL 71 CO -0.07 0.55 -0.19 -0.63 0.00 0.00 0.00 175.10 174.77 2uug s ILE 72 N 0.43 2.42 -0.11 2.22 1.01 -0.99 0.07 121.20 126.25 2uug s ILE 72 Ca -0.15 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.65 2uug s ILE 72 Cb -0.17 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 2uug s ILE 72 CO 0.07 0.53 -0.19 -1.58 0.00 0.00 0.00 174.94 173.77 2uug s GLN 73 N 0.67 3.16 0.05 2.79 0.74 -0.12 -0.34 119.66 126.61 2uug s GLN 73 Ca -0.09 -0.79 -0.00 0.00 0.05 0.00 0.00 55.36 54.53 2uug s GLN 73 Cb -0.16 -2.45 0.01 0.00 1.10 0.00 0.00 33.01 31.51 2uug s GLN 73 CO 0.02 0.22 0.07 -0.40 -0.55 0.00 0.00 175.29 174.65 2uug n ASP 74 N 3.45 0.10 0.00 6.67 5.75 -0.99 -0.30 116.55 131.23 2uug n ASP 74 Ca -0.18 -1.09 0.04 0.00 -0.01 0.00 0.00 54.79 53.55 2uug n ASP 74 Cb 0.53 -0.05 0.24 0.00 -1.03 0.00 0.00 41.12 40.81 2uug n ASP 74 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2uug n SER 75 N -2.99 0.00 -0.09 -1.12 7.64 -1.25 -1.20 113.62 114.61 2uug n SER 75 Ca 0.01 -0.54 0.01 0.00 1.01 0.00 0.00 58.87 59.36 2uug n SER 75 Cb 0.04 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.27 2uug n SER 75 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2uug n ASN 76 N -0.82 2.14 -1.80 6.43 5.03 -1.26 -4.98 115.26 119.99 2uug n ASN 76 Ca 0.06 -2.01 -0.17 0.00 0.87 0.00 0.00 54.58 53.33 2uug n ASN 76 Cb 0.03 -0.04 -0.03 0.00 -1.02 0.00 0.00 39.78 38.72 2uug n ASN 76 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2uug n GLY 77 N -0.37 0.21 3.54 7.41 0.00 -0.34 -4.98 105.19 110.66 2uug n GLY 77 Ca 0.02 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 2uug n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2uug s GLU 78 N -4.49 3.82 0.39 1.61 2.02 -1.26 -4.86 118.70 115.94 2uug s GLU 78 Ca 0.00 -0.41 -0.13 0.00 0.02 0.00 0.00 54.97 54.45 2uug s GLU 78 Cb 0.00 -3.31 -0.08 0.00 0.10 0.00 0.00 34.13 30.84 2uug s GLU 78 CO 0.00 0.01 0.80 -0.80 0.02 0.00 0.00 175.26 175.29 2uug s ASN 79 N 1.09 6.64 -0.38 -0.19 0.02 -1.26 -2.35 114.94 118.51 2uug s ASN 79 Ca 0.05 1.27 0.01 0.00 -1.02 0.00 0.00 52.86 53.17 2uug s ASN 79 Cb -0.14 -2.37 0.12 0.00 0.02 0.00 0.00 41.25 38.87 2uug s ASN 79 CO 0.03 -0.36 0.16 -0.54 0.02 0.00 0.00 177.10 176.42 2uug s LYS 80 N -3.56 1.14 0.14 -0.60 1.02 0.54 -4.94 119.74 113.47 2uug s LYS 80 Ca 0.54 -1.68 -0.26 0.00 0.02 0.00 0.00 55.97 54.58 2uug s LYS 80 Cb -0.10 -2.37 -0.07 0.00 -0.52 0.00 0.00 37.83 34.76 2uug s LYS 80 CO 0.26 -1.07 0.80 0.42 -0.92 0.00 0.00 175.35 174.84 2uug s ILE 81 N 0.85 4.42 -0.17 2.17 1.01 -1.26 -2.35 121.20 125.87 2uug s ILE 81 Ca 0.14 1.75 -0.05 0.00 0.00 0.00 0.00 60.65 62.49 2uug s ILE 81 Cb -0.21 -4.16 0.06 0.00 0.01 0.00 0.00 42.46 38.16 2uug s ILE 81 CO -0.10 0.47 0.11 -0.75 0.00 0.00 0.00 174.94 174.68 2uug s LYS 82 N -0.84 0.08 0.38 2.79 2.20 -0.34 -5.02 119.74 118.99 2uug s LYS 82 Ca 0.38 -0.02 -0.27 0.00 -0.36 0.00 0.00 55.97 55.70 2uug s LYS 82 Cb -0.23 -1.68 -0.10 0.00 -1.51 0.00 0.00 37.83 34.31 2uug s LYS 82 CO 0.26 -0.66 1.33 -1.64 -0.36 0.00 0.00 175.35 174.29 2uug s MET 83 N 2.17 4.12 0.00 4.03 -1.94 -1.26 -0.90 119.30 125.53 2uug s MET 83 Ca 0.03 2.24 0.12 0.00 -1.71 0.00 0.00 55.69 56.38 2uug s MET 83 Cb -0.16 -2.90 0.10 0.00 2.01 0.00 0.00 34.83 33.88 2uug s MET 83 CO -0.09 -0.39 0.89 1.28 -0.01 0.00 0.00 175.02 176.69