#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uug h LEU 4 N 0.00 0.45 -1.91 1.20 4.07 -2.01 -2.63 115.31 114.48 1uug h LEU 4 Ca 0.00 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1uug h LEU 4 Cb 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.62 1uug h LEU 4 CO 0.00 0.55 0.00 0.28 -1.08 0.00 0.00 178.44 178.19 1uug h SER 5 N 0.32 0.00 0.28 -0.43 0.02 -2.00 -1.75 113.55 109.99 1uug h SER 5 Ca 0.09 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.78 1uug h SER 5 Cb 0.28 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.83 1uug h SER 5 CO -0.00 0.00 -1.12 0.44 -1.14 0.00 0.00 176.83 175.01 1uug h ASP 6 N 0.00 0.68 -0.63 3.07 3.32 -1.85 -2.50 116.42 118.51 1uug h ASP 6 Ca 0.00 -0.60 -0.07 0.00 0.02 0.00 0.00 57.03 56.38 1uug h ASP 6 Cb 0.23 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1uug h ASP 6 CO 0.00 1.42 0.14 0.40 -1.72 0.00 0.00 179.24 179.48 1uug h ILE 7 N 0.24 1.26 -0.32 0.35 2.04 -1.15 0.33 117.51 120.25 1uug h ILE 7 Ca -0.13 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 1uug h ILE 7 Cb 1.78 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1uug h ILE 7 CO 0.20 0.36 0.16 0.40 0.00 0.00 0.00 178.15 179.27 1uug h ILE 8 N 0.93 1.15 -0.58 -0.67 2.04 -1.51 -0.42 117.51 118.44 1uug h ILE 8 Ca 0.19 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1uug h ILE 8 Cb 0.38 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1uug h ILE 8 CO 0.01 0.15 0.22 -0.08 0.00 0.00 0.00 178.15 178.44 1uug h GLU 9 N 0.38 0.88 -0.00 2.37 4.81 -1.23 0.36 114.58 122.14 1uug h GLU 9 Ca 0.11 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1uug h GLU 9 Cb 0.09 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 1uug h GLU 9 CO -0.02 0.76 -0.08 -0.22 -0.73 0.00 0.00 179.01 178.72 1uug h LYS 10 N 0.81 0.01 0.01 1.92 3.64 -0.65 0.40 116.57 122.70 1uug h LYS 10 Ca 0.19 -0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.24 1uug h LYS 10 Cb 0.22 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 1uug h LYS 10 CO -0.01 0.09 -2.03 0.39 -2.27 0.00 0.00 179.45 175.62 1uug n GLU 11 N -4.44 0.66 -0.00 1.90 -0.58 -0.19 -4.54 120.64 113.45 1uug n GLU 11 Ca -0.03 0.17 0.04 0.00 -0.42 0.00 0.00 57.16 56.92 1uug n GLU 11 Cb 0.16 -1.67 -0.05 0.00 -0.57 0.00 0.00 31.44 29.31 1uug n GLU 11 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1uug n THR 12 N -2.96 0.00 -0.65 2.62 -2.24 0.12 -4.98 114.28 106.19 1uug n THR 12 Ca -0.25 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1uug n THR 12 Cb 1.09 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 70.21 1uug n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uug n GLY 13 N 1.33 1.45 3.34 3.38 0.00 0.14 -4.98 105.19 109.86 1uug n GLY 13 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1uug n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uug s LYS 14 N -0.07 2.95 -0.43 1.61 1.02 -1.25 -5.00 119.74 118.57 1uug s LYS 14 Ca 0.00 -0.77 -0.23 0.00 0.02 0.00 0.00 55.97 54.99 1uug s LYS 14 Cb 0.00 -2.42 0.02 0.00 -0.52 0.00 0.00 37.83 34.92 1uug s LYS 14 CO 0.00 0.33 0.77 1.14 -0.92 0.00 0.00 175.35 176.67 1uug s GLN 15 N -0.00 3.48 0.30 1.68 1.03 -1.26 -3.51 119.66 121.38 1uug s GLN 15 Ca -0.06 -0.03 0.08 0.00 0.04 0.00 0.00 55.36 55.39 1uug s GLN 15 Cb -0.15 -3.91 -0.04 0.00 0.03 0.00 0.00 33.01 28.95 1uug s GLN 15 CO 0.05 -1.04 0.13 -0.51 -2.54 0.00 0.00 175.29 171.38 1uug s LEU 16 N 3.19 3.38 -0.23 2.60 1.43 -1.26 -5.05 118.68 122.75 1uug s LEU 16 Ca 0.29 -0.61 -0.09 0.00 -1.03 0.00 0.00 54.13 52.69 1uug s LEU 16 Cb -0.13 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1uug s LEU 16 CO 0.21 -0.18 0.12 -0.69 0.23 0.00 0.00 176.35 176.04 1uug s VAL 17 N -2.33 5.01 -0.20 -1.59 1.01 -1.26 -4.85 120.40 116.19 1uug s VAL 17 Ca 0.35 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 62.10 1uug s VAL 17 Cb -0.05 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1uug s VAL 17 CO 0.23 0.37 1.30 -0.63 0.00 0.00 0.00 175.10 176.38 1uug s ILE 18 N 0.99 4.19 -0.13 2.22 1.01 -1.26 -4.41 121.20 123.80 1uug s ILE 18 Ca 0.06 1.42 0.20 0.00 0.00 0.00 0.00 60.65 62.32 1uug s ILE 18 Cb -0.14 -4.00 -0.18 0.00 0.01 0.00 0.00 42.46 38.16 1uug s ILE 18 CO 0.03 -0.22 0.67 0.00 0.00 0.00 0.00 174.94 175.42 1uug n GLN 19 N 6.85 0.64 -3.45 2.79 6.02 0.05 -4.99 117.38 125.29 1uug n GLN 19 Ca 0.14 0.04 -0.13 0.00 -0.01 0.00 0.00 57.00 57.05 1uug n GLN 19 Cb 0.45 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 1uug n GLN 19 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1uug s GLU 20 N -3.14 1.23 -0.11 -1.09 -1.05 -1.20 -5.02 118.70 108.31 1uug s GLU 20 Ca -0.05 -0.33 -0.03 0.00 -0.15 0.00 0.00 54.97 54.41 1uug s GLU 20 Cb 0.10 0.57 0.04 0.00 -0.44 0.00 0.00 34.13 34.40 1uug s GLU 20 CO 0.84 -0.51 0.05 -1.12 0.95 0.00 0.00 175.26 175.47 1uug s SER 21 N -2.44 1.91 -0.13 0.83 0.01 -1.26 -0.60 113.70 112.02 1uug s SER 21 Ca -0.01 -0.32 -0.02 0.00 1.31 0.00 0.00 55.95 56.91 1uug s SER 21 Cb -0.01 -0.33 -0.02 0.00 0.21 0.00 0.00 66.02 65.87 1uug s SER 21 CO -0.08 -0.27 -0.07 -0.63 0.41 0.00 0.00 173.24 172.59 1uug s ILE 22 N 2.05 3.58 -0.05 1.44 -1.09 -0.68 -4.86 121.20 121.60 1uug s ILE 22 Ca 0.03 -0.48 -0.25 0.00 -2.23 0.00 0.00 60.65 57.72 1uug s ILE 22 Cb -0.14 -2.53 -0.04 0.00 -1.58 0.00 0.00 42.46 38.17 1uug s ILE 22 CO -0.06 0.52 0.76 -0.22 -1.23 0.00 0.00 174.94 174.71 1uug s LEU 23 N 0.15 4.33 0.02 2.97 2.96 -1.26 -0.06 118.68 127.79 1uug s LEU 23 Ca -0.03 1.29 0.04 0.00 -0.22 0.00 0.00 54.13 55.20 1uug s LEU 23 Cb -0.14 -3.18 -0.02 0.00 0.50 0.00 0.00 46.19 43.35 1uug s LEU 23 CO 0.04 -0.14 -0.11 -0.04 -1.32 0.00 0.00 176.35 174.77 1uug s MET 24 N 0.81 0.80 0.45 1.98 -1.94 0.17 -5.00 119.30 116.59 1uug s MET 24 Ca 0.40 -0.62 -0.10 0.00 -1.71 0.00 0.00 55.69 53.66 1uug s MET 24 Cb -0.18 -0.77 -0.06 0.00 2.01 0.00 0.00 34.83 35.83 1uug s MET 24 CO 0.20 0.19 0.83 -0.51 -0.01 0.00 0.00 175.02 175.72 1uug s LEU 25 N -0.90 3.71 0.27 -0.03 1.43 -1.26 -1.40 118.68 120.49 1uug s LEU 25 Ca 0.00 1.19 -0.00 0.00 -1.03 0.00 0.00 54.13 54.29 1uug s LEU 25 Cb -0.07 -4.11 0.60 0.00 0.03 0.00 0.00 46.19 42.65 1uug s LEU 25 CO 0.01 -0.50 1.71 -0.65 0.23 0.00 0.00 176.35 177.14 1uug h PRO 26 N 0.87 0.40 -0.27 1.29 0.11 -1.87 -1.41 132.00 131.11 1uug h PRO 26 Ca -0.47 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 1uug h PRO 26 Cb 1.19 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1uug h PRO 26 CO 0.63 0.26 -0.14 0.93 -0.21 0.00 0.00 178.00 179.47 1uug h GLU 27 N 0.41 0.47 -0.09 1.05 3.07 -1.94 -1.74 114.58 115.81 1uug h GLU 27 Ca 0.49 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 59.21 1uug h GLU 27 Cb 0.86 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.72 1uug h GLU 27 CO -0.48 0.60 0.04 0.93 -1.40 0.00 0.00 179.01 178.69 1uug h GLU 28 N 0.43 0.14 -0.60 2.33 5.08 -1.65 -2.68 114.58 117.64 1uug h GLU 28 Ca 0.08 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1uug h GLU 28 Cb 0.50 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1uug h GLU 28 CO 0.03 0.27 0.27 0.28 -1.00 0.00 0.00 179.01 178.85 1uug h VAL 29 N -0.01 1.22 -0.96 3.13 2.07 -1.40 -3.07 116.25 117.23 1uug h VAL 29 Ca 0.03 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 66.96 1uug h VAL 29 Cb 0.18 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 1uug h VAL 29 CO -0.00 0.26 0.62 -0.08 0.02 0.00 0.00 177.57 178.39 1uug h GLU 30 N 0.82 1.11 0.00 1.57 4.81 -1.22 0.34 114.58 122.01 1uug h GLU 30 Ca 0.20 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1uug h GLU 30 Cb 0.16 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1uug h GLU 30 CO -0.02 0.73 0.00 0.39 -0.73 0.00 0.00 179.01 179.38 1uug n GLU 31 N -4.48 0.12 -0.04 1.92 1.02 -1.02 -0.67 120.64 117.50 1uug n GLU 31 Ca 0.14 0.53 -0.08 0.00 -0.02 0.00 0.00 57.16 57.73 1uug n GLU 31 Cb 0.16 -1.84 -0.03 0.00 -0.02 0.00 0.00 31.44 29.71 1uug n GLU 31 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1uug n VAL 32 N -2.09 0.47 0.18 2.62 0.31 -0.17 -4.74 118.33 114.91 1uug n VAL 32 Ca 0.00 -0.13 0.08 0.00 -0.01 0.00 0.00 64.34 64.28 1uug n VAL 32 Cb 0.09 -1.44 0.11 0.00 -0.91 0.00 0.00 33.84 31.69 1uug n VAL 32 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1uug h ILE 33 N -0.24 0.31 0.00 2.52 1.08 -0.45 -3.47 117.51 117.26 1uug h ILE 33 Ca -0.21 -1.45 0.00 0.00 -0.39 0.00 0.00 64.86 62.81 1uug h ILE 33 Cb 1.21 2.13 0.00 0.00 -3.07 0.00 0.00 36.82 37.09 1uug h ILE 33 CO -0.11 0.18 0.00 0.61 -0.69 0.00 0.00 178.15 178.14 1uug n GLY 34 N 1.15 0.57 2.93 5.37 0.00 0.16 -5.00 105.19 110.37 1uug n GLY 34 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 1uug n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uug s ASN 35 N -2.18 0.44 -0.32 1.61 2.47 -1.26 -5.03 114.94 110.68 1uug s ASN 35 Ca 0.00 -0.07 -0.15 0.00 0.42 0.00 0.00 52.86 53.06 1uug s ASN 35 Cb 0.00 -0.05 -0.02 0.00 -1.45 0.00 0.00 41.25 39.73 1uug s ASN 35 CO 0.00 0.05 0.39 -0.75 -3.72 0.00 0.00 177.10 173.06 1uug s LYS 36 N -0.09 3.72 0.71 0.43 2.20 -1.26 -3.72 119.74 121.74 1uug s LYS 36 Ca 0.01 -0.23 -0.13 0.00 -0.36 0.00 0.00 55.97 55.26 1uug s LYS 36 Cb -0.01 -3.76 0.03 0.00 -1.51 0.00 0.00 37.83 32.58 1uug s LYS 36 CO -0.00 -0.46 1.11 -1.25 -0.36 0.00 0.00 175.35 174.39 1uug s PRO 37 N 2.09 2.50 0.40 4.03 0.04 -1.26 -4.97 135.00 137.83 1uug s PRO 37 Ca 0.14 1.33 0.27 0.00 0.04 0.00 0.00 61.00 62.78 1uug s PRO 37 Cb -0.16 -1.92 0.92 0.00 0.04 0.00 0.00 34.50 33.39 1uug s PRO 37 CO 0.11 -1.47 1.79 0.93 0.04 0.00 0.00 177.00 178.40 1uug h GLU 38 N -0.49 0.00 0.00 4.56 5.08 -1.98 -3.45 114.58 118.30 1uug h GLU 38 Ca -0.45 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.75 1uug h GLU 38 Cb 1.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.46 1uug h GLU 38 CO 0.52 0.00 -0.07 -1.13 -1.00 0.00 0.00 179.01 177.34 1uug n SER 39 N -2.75 -0.88 -4.76 1.42 3.41 -1.26 -5.08 113.62 103.72 1uug n SER 39 Ca 0.03 -2.14 -0.36 0.00 -0.26 0.00 0.00 58.87 56.14 1uug n SER 39 Cb 0.37 1.61 0.02 0.00 -0.26 0.00 0.00 64.21 65.95 1uug n SER 39 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1uug s ASP 40 N -2.31 5.38 0.15 4.04 1.01 -1.26 -4.40 116.67 119.28 1uug s ASP 40 Ca 0.17 2.33 0.06 0.00 0.71 0.00 0.00 52.55 55.83 1uug s ASP 40 Cb -0.01 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1uug s ASP 40 CO 0.12 -1.46 -0.14 0.27 0.21 0.00 0.00 175.17 174.18 1uug s ILE 41 N -1.63 1.42 -0.13 0.77 -5.25 -0.49 -3.37 121.20 112.51 1uug s ILE 41 Ca 0.75 -1.92 -0.02 0.00 -0.99 0.00 0.00 60.65 58.48 1uug s ILE 41 Cb -0.29 -1.74 -0.03 0.00 2.95 0.00 0.00 42.46 43.36 1uug s ILE 41 CO 0.32 -0.52 -0.06 -0.76 -1.79 0.00 0.00 174.94 172.13 1uug s LEU 42 N -2.82 3.15 -0.59 0.37 1.43 0.04 -0.66 118.68 119.61 1uug s LEU 42 Ca 0.14 -0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 52.96 1uug s LEU 42 Cb -0.02 -1.74 0.15 0.00 0.03 0.00 0.00 46.19 44.61 1uug s LEU 42 CO 0.04 0.22 0.53 -0.69 0.23 0.00 0.00 176.35 176.67 1uug s VAL 43 N 0.08 5.16 -0.33 -1.59 1.01 0.91 -2.13 120.40 123.51 1uug s VAL 43 Ca -0.01 -1.73 -0.24 0.00 0.00 0.00 0.00 61.98 60.00 1uug s VAL 43 Cb -0.14 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1uug s VAL 43 CO 0.03 -0.89 0.81 -1.00 0.00 0.00 0.00 175.10 174.05 1uug s HIS 44 N 1.28 3.17 -0.11 5.22 0.09 -0.05 -1.68 115.29 123.22 1uug s HIS 44 Ca 0.06 0.76 -0.00 0.00 -0.00 0.00 0.00 55.06 55.88 1uug s HIS 44 Cb -0.26 -3.31 -0.02 0.00 -0.00 0.00 0.00 32.58 28.99 1uug s HIS 44 CO 0.00 -0.63 -0.10 0.99 -0.00 0.00 0.00 174.74 175.00 1uug s THR 45 N 3.05 3.38 0.12 1.30 2.01 0.23 -0.86 115.64 124.88 1uug s THR 45 Ca 0.33 -0.57 0.07 0.00 0.31 0.00 0.00 61.69 61.83 1uug s THR 45 Cb -0.14 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1uug s THR 45 CO 0.14 0.55 -0.17 0.00 -0.69 0.00 0.00 174.62 174.45 1uug s ALA 46 N -0.10 1.66 -0.11 7.40 0.00 -0.22 -0.77 121.76 129.63 1uug s ALA 46 Ca -0.00 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.70 1uug s ALA 46 Cb -0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 1uug s ALA 46 CO 0.03 0.22 -0.21 -0.47 0.00 0.00 0.00 175.76 175.33 1uug s TYR 47 N -1.72 2.63 -0.58 0.00 5.04 -1.26 -0.77 117.35 120.70 1uug s TYR 47 Ca 0.08 -0.93 -0.16 0.00 -2.44 0.00 0.00 57.07 53.62 1uug s TYR 47 Cb -0.07 -1.75 0.14 0.00 0.35 0.00 0.00 41.96 40.63 1uug s TYR 47 CO 0.04 -0.36 0.55 0.34 -1.34 0.00 0.00 175.55 174.78 1uug s ASP 48 N 0.34 6.25 0.48 4.32 -1.08 -0.10 -4.91 116.67 121.97 1uug s ASP 48 Ca -0.17 -1.86 0.16 0.00 -0.52 0.00 0.00 52.55 50.17 1uug s ASP 48 Cb -0.17 -2.22 1.14 0.00 -1.46 0.00 0.00 42.92 40.21 1uug s ASP 48 CO 0.08 -0.85 2.06 1.05 0.52 0.00 0.00 175.17 178.03 1uug h GLU 49 N 8.80 0.00 -0.33 4.34 4.11 -1.97 0.22 114.58 129.74 1uug h GLU 49 Ca -0.25 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.08 1uug h GLU 49 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1uug h GLU 49 CO 1.02 0.11 -0.16 0.77 0.07 0.00 0.00 179.01 180.81 1uug h SER 50 N 0.00 0.71 -0.01 3.06 0.02 -1.97 -3.29 113.55 112.08 1uug h SER 50 Ca -0.00 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1uug h SER 50 Cb 0.19 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1uug h SER 50 CO 0.01 0.96 -0.66 0.35 -1.14 0.00 0.00 176.83 176.36 1uug n THR 51 N -4.35 0.00 -3.33 -2.27 -2.24 -1.15 -5.01 114.28 95.94 1uug n THR 51 Ca -0.03 -0.17 -0.16 0.00 -2.27 0.00 0.00 64.05 61.42 1uug n THR 51 Cb 0.39 1.14 0.07 0.00 -2.10 0.00 0.00 70.33 69.84 1uug n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1uug n ASP 52 N -0.66 -5.12 -3.85 3.42 2.03 0.73 -4.88 116.55 108.24 1uug n ASP 52 Ca 0.07 -0.70 -0.11 0.00 0.52 0.00 0.00 54.79 54.57 1uug n ASP 52 Cb 0.38 -5.11 -0.09 0.00 -0.72 0.00 0.00 41.12 35.58 1uug n ASP 52 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1uug s GLU 53 N -4.76 0.56 -0.15 -0.67 -1.05 -1.07 -3.58 118.70 107.97 1uug s GLU 53 Ca 0.31 -0.40 -0.14 0.00 -0.15 0.00 0.00 54.97 54.59 1uug s GLU 53 Cb -0.04 0.23 -0.05 0.00 -0.44 0.00 0.00 34.13 33.83 1uug s GLU 53 CO 0.74 -0.14 0.30 -0.80 0.95 0.00 0.00 175.26 176.31 1uug s ASN 54 N -1.50 6.46 -0.25 0.83 0.01 -0.36 -0.92 114.94 119.22 1uug s ASN 54 Ca -0.13 0.54 -0.06 0.00 -0.71 0.00 0.00 52.86 52.50 1uug s ASN 54 Cb -0.06 -2.19 -0.02 0.00 0.41 0.00 0.00 41.25 39.40 1uug s ASN 54 CO 0.01 0.11 0.03 -0.69 -1.51 0.00 0.00 177.10 175.05 1uug s VAL 55 N 0.39 3.96 -0.15 1.60 1.01 0.05 -1.06 120.40 126.21 1uug s VAL 55 Ca 0.17 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1uug s VAL 55 Cb -0.13 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.39 1uug s VAL 55 CO 0.04 0.33 -0.21 -0.04 0.00 0.00 0.00 175.10 175.23 1uug s MET 56 N 1.56 3.05 -0.26 2.72 -1.94 0.44 -1.05 119.30 123.82 1uug s MET 56 Ca 0.06 -0.83 -0.07 0.00 -1.71 0.00 0.00 55.69 53.13 1uug s MET 56 Cb -0.15 -2.48 -0.02 0.00 2.01 0.00 0.00 34.83 34.18 1uug s MET 56 CO 0.01 -0.03 0.08 -1.17 -0.01 0.00 0.00 175.02 173.90 1uug s LEU 57 N 0.87 3.53 -0.21 -0.03 2.96 -0.04 -0.67 118.68 125.08 1uug s LEU 57 Ca -0.06 -0.30 -0.11 0.00 -0.22 0.00 0.00 54.13 53.45 1uug s LEU 57 Cb -0.15 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 1uug s LEU 57 CO -0.03 -0.07 0.16 -0.76 -1.32 0.00 0.00 176.35 174.34 1uug s LEU 58 N 1.60 4.18 0.25 -0.68 1.43 -0.08 -0.87 118.68 124.52 1uug s LEU 58 Ca 0.06 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1uug s LEU 58 Cb -0.15 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 1uug s LEU 58 CO 0.04 0.13 0.13 0.42 0.23 0.00 0.00 176.35 177.29 1uug s THR 59 N 0.62 0.31 1.09 5.49 -4.23 -0.91 -0.80 115.64 117.21 1uug s THR 59 Ca 0.09 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.42 1uug s THR 59 Cb -0.12 -2.56 0.24 0.00 1.34 0.00 0.00 72.50 71.40 1uug s THR 59 CO 0.01 0.00 1.19 -0.94 -0.54 0.00 0.00 174.62 174.34 1uug s SER 60 N -3.28 1.90 1.10 3.99 1.04 0.88 -0.78 113.70 118.55 1uug s SER 60 Ca 0.38 0.52 -0.18 0.00 0.48 0.00 0.00 55.95 57.15 1uug s SER 60 Cb 0.07 -0.72 0.25 0.00 0.10 0.00 0.00 66.02 65.72 1uug s SER 60 CO 0.14 -3.51 1.20 -0.62 0.98 0.00 0.00 173.24 171.44 1uug s ASP 61 N -4.27 1.83 0.58 7.02 2.15 -1.22 -4.03 116.67 118.74 1uug s ASP 61 Ca 0.72 0.46 -0.16 0.00 0.43 0.00 0.00 52.55 54.00 1uug s ASP 61 Cb -0.08 -0.61 -0.04 0.00 -0.30 0.00 0.00 42.92 41.89 1uug s ASP 61 CO 0.55 -3.55 1.05 0.00 -0.17 0.00 0.00 175.17 173.05 1uug s ALA 62 N -3.39 2.78 -1.94 3.66 0.00 -1.26 -2.07 121.76 119.54 1uug s ALA 62 Ca 0.72 0.39 0.28 0.00 0.00 0.00 0.00 51.96 53.35 1uug s ALA 62 Cb -0.07 -3.22 0.99 0.00 0.00 0.00 0.00 23.12 20.82 1uug s ALA 62 CO 0.55 -0.74 1.71 -0.35 0.00 0.00 0.00 175.76 176.93 1uug n PRO 63 N -1.94 1.03 -0.03 0.00 -0.04 -1.26 -4.89 135.00 127.87 1uug n PRO 63 Ca 0.09 -0.54 -0.13 0.00 -0.04 0.00 0.00 63.50 62.88 1uug n PRO 63 Cb 0.53 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 1uug n PRO 63 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1uug h GLU 64 N 1.31 0.13 -6.11 0.54 4.39 -1.90 -3.48 114.58 109.46 1uug h GLU 64 Ca 0.00 -0.07 -0.44 0.00 0.34 0.00 0.00 59.36 59.19 1uug h GLU 64 Cb 0.45 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.14 1uug h GLU 64 CO 0.00 0.60 -0.73 0.66 -1.16 0.00 0.00 179.01 178.37 1uug n TYR 65 N -4.74 -2.49 -2.21 4.33 4.01 -0.88 -4.92 117.16 110.25 1uug n TYR 65 Ca -0.08 0.94 -0.42 0.00 -0.16 0.00 0.00 57.90 58.18 1uug n TYR 65 Cb 0.30 -4.41 -0.03 0.00 -0.31 0.00 0.00 39.34 34.89 1uug n TYR 65 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1uug s LYS 66 N -6.45 4.25 0.29 -0.72 2.20 -1.26 -4.58 119.74 113.48 1uug s LYS 66 Ca 0.58 1.96 -0.30 0.00 -0.36 0.00 0.00 55.97 57.85 1uug s LYS 66 Cb -0.28 -3.70 -0.12 0.00 -1.51 0.00 0.00 37.83 32.23 1uug s LYS 66 CO 0.79 -0.66 1.60 -2.30 -0.36 0.00 0.00 175.35 174.42 1uug n PRO 67 N 5.99 2.72 0.00 4.03 -0.02 -1.26 -0.08 135.00 146.37 1uug n PRO 67 Ca 0.14 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 1uug n PRO 67 Cb 0.44 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1uug n PRO 67 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1uug n TRP 68 N 2.14 0.00 -3.51 6.00 -0.00 0.02 -4.82 117.44 117.28 1uug n TRP 68 Ca 0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.47 1uug n TRP 68 Cb 0.37 0.02 -0.03 0.00 -0.00 0.00 0.00 31.31 31.67 1uug n TRP 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1uug s ALA 69 N -1.95 -1.34 -0.11 5.87 0.00 -1.03 -1.73 121.76 121.47 1uug s ALA 69 Ca 0.00 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.24 1uug s ALA 69 Cb 0.00 0.82 0.02 0.00 0.00 0.00 0.00 23.12 23.96 1uug s ALA 69 CO 0.00 -0.73 -0.11 -1.17 0.00 0.00 0.00 175.76 173.75 1uug s LEU 70 N -2.77 1.47 -0.11 0.00 2.96 0.01 -0.90 118.68 119.34 1uug s LEU 70 Ca 0.02 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 1uug s LEU 70 Cb -0.00 -0.93 0.00 0.00 0.50 0.00 0.00 46.19 45.76 1uug s LEU 70 CO -0.12 -0.05 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.95 1uug s VAL 71 N 1.30 1.94 -0.19 1.68 1.01 0.15 -0.67 120.40 125.62 1uug s VAL 71 Ca -0.02 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 1uug s VAL 71 Cb -0.14 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.55 1uug s VAL 71 CO -0.05 0.53 -0.10 -0.63 0.00 0.00 0.00 175.10 174.86 1uug s ILE 72 N 0.51 3.02 -0.12 2.22 1.01 -0.50 -0.42 121.20 126.92 1uug s ILE 72 Ca -0.15 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 59.89 1uug s ILE 72 Cb -0.17 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 39.96 1uug s ILE 72 CO 0.06 0.47 -0.20 -1.58 0.00 0.00 0.00 174.94 173.69 1uug s GLN 73 N 1.17 3.16 0.55 2.79 0.74 -0.22 -0.86 119.66 126.99 1uug s GLN 73 Ca 0.02 -0.81 -0.03 0.00 0.05 0.00 0.00 55.36 54.58 1uug s GLN 73 Cb -0.14 -2.43 0.11 0.00 1.10 0.00 0.00 33.01 31.65 1uug s GLN 73 CO -0.03 0.16 0.75 -0.40 -0.55 0.00 0.00 175.29 175.22 1uug n ASP 74 N 3.62 0.72 0.26 6.67 5.68 -0.24 -1.22 116.55 132.03 1uug n ASP 74 Ca -0.19 -1.67 0.17 0.00 -0.50 0.00 0.00 54.79 52.60 1uug n ASP 74 Cb 0.53 -0.51 0.85 0.00 -1.14 0.00 0.00 41.12 40.84 1uug n ASP 74 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1uug h SER 75 N -0.62 0.00 0.62 -1.12 4.64 -1.89 -1.87 113.55 113.31 1uug h SER 75 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1uug h SER 75 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1uug h SER 75 CO 0.24 0.00 -0.31 0.59 -0.87 0.00 0.00 176.83 176.47 1uug n ASN 76 N -2.78 0.38 0.00 4.97 5.03 -1.26 -4.92 115.26 116.67 1uug n ASN 76 Ca -0.01 -0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.35 1uug n ASN 76 Cb 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 1uug n ASN 76 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1uug n GLY 77 N 1.48 0.62 3.75 7.41 0.00 -0.70 -5.06 105.19 112.69 1uug n GLY 77 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1uug n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uug s GLU 78 N -0.78 4.74 0.05 1.61 2.02 -1.26 -4.81 118.70 120.27 1uug s GLU 78 Ca 0.00 1.59 0.04 0.00 0.02 0.00 0.00 54.97 56.62 1uug s GLU 78 Cb 0.00 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.93 1uug s GLU 78 CO 0.00 0.33 -0.11 0.54 0.02 0.00 0.00 175.26 176.04 1uug s ASN 79 N -0.74 1.25 -0.18 -0.19 6.03 -1.26 -1.08 114.94 118.78 1uug s ASN 79 Ca 0.44 -0.57 -0.04 0.00 -1.03 0.00 0.00 52.86 51.66 1uug s ASN 79 Cb -0.27 -0.01 -0.02 0.00 -3.03 0.00 0.00 41.25 37.91 1uug s ASN 79 CO 0.34 -0.13 -0.03 -0.54 -2.03 0.00 0.00 177.10 174.71 1uug s LYS 80 N -1.61 3.61 -0.04 3.55 1.02 -0.03 -4.94 119.74 121.29 1uug s LYS 80 Ca -0.06 -0.54 0.01 0.00 0.02 0.00 0.00 55.97 55.40 1uug s LYS 80 Cb -0.10 -2.98 -0.03 0.00 -0.52 0.00 0.00 37.83 34.20 1uug s LYS 80 CO 0.01 0.10 -0.03 0.42 -0.92 0.00 0.00 175.35 174.94 1uug s ILE 81 N 0.73 4.00 -0.09 2.17 1.01 -1.26 -1.41 121.20 126.35 1uug s ILE 81 Ca -0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.14 1uug s ILE 81 Cb -0.14 -2.70 0.03 0.00 0.01 0.00 0.00 42.46 39.65 1uug s ILE 81 CO 0.02 0.51 0.00 -0.75 0.00 0.00 0.00 174.94 174.72 1uug s LYS 82 N -1.13 0.68 0.04 2.79 2.20 0.15 -4.99 119.74 119.49 1uug s LYS 82 Ca 0.15 0.01 -0.30 0.00 -0.36 0.00 0.00 55.97 55.47 1uug s LYS 82 Cb -0.11 -1.17 -0.04 0.00 -1.51 0.00 0.00 37.83 35.00 1uug s LYS 82 CO 0.05 -0.34 1.06 -1.64 -0.36 0.00 0.00 175.35 174.11 1uug s MET 83 N 1.94 4.53 0.00 4.03 -1.94 -1.26 -0.81 119.30 125.79 1uug s MET 83 Ca 0.04 1.55 0.18 0.00 -1.71 0.00 0.00 55.69 55.76 1uug s MET 83 Cb -0.13 -3.41 0.14 0.00 2.01 0.00 0.00 34.83 33.45 1uug s MET 83 CO -0.06 -0.09 1.08 1.28 -0.01 0.00 0.00 175.02 177.22