#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugo n SER 2 N 0.00 -6.87 -4.56 1.61 7.64 -1.26 -4.63 113.62 105.54 1ugo n SER 2 Ca 0.00 0.95 -0.55 0.00 1.01 0.00 0.00 58.87 60.28 1ugo n SER 2 Cb 0.00 -4.20 -0.07 0.00 -1.01 0.00 0.00 64.21 58.93 1ugo n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ugo n SER 3 N -4.24 1.05 0.00 6.43 7.64 -1.26 -4.91 113.62 118.34 1ugo n SER 3 Ca -0.05 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1ugo n SER 3 Cb 0.62 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1ugo n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugo n GLY 4 N 2.19 1.12 3.06 0.23 0.00 -1.26 -5.07 105.19 105.45 1ugo n GLY 4 Ca 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ugo n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ugo n SER 5 N 0.00 -6.92 -3.64 1.61 2.88 -1.26 -5.02 113.62 101.27 1ugo n SER 5 Ca 0.00 0.70 -0.07 0.00 -1.33 0.00 0.00 58.87 58.16 1ugo n SER 5 Cb 0.00 -2.58 -0.07 0.00 -0.75 0.00 0.00 64.21 60.81 1ugo n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ugo s SER 6 N -1.13 -0.31 0.00 -3.46 0.01 -1.26 -5.18 113.70 102.36 1ugo s SER 6 Ca -0.00 0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.86 1ugo s SER 6 Cb 0.00 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.84 1ugo s SER 6 CO 0.21 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1ugo n GLY 7 N 1.98 3.94 3.91 3.44 0.00 -1.26 -5.08 105.19 112.12 1ugo n GLY 7 Ca -0.12 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 1ugo n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ugo s MET 8 N -2.71 3.56 0.03 1.61 1.00 -1.26 -5.02 119.30 116.50 1ugo s MET 8 Ca 0.00 -0.23 -0.27 0.00 0.00 0.00 0.00 55.69 55.19 1ugo s MET 8 Cb 0.00 -2.86 -0.17 0.00 0.00 0.00 0.00 34.83 31.81 1ugo s MET 8 CO 0.00 0.44 1.37 0.22 0.00 0.00 0.00 175.02 177.05 1ugo h ASP 9 N 2.44 -0.45 -3.38 3.03 1.82 -2.02 -3.42 116.42 114.44 1ugo h ASP 9 Ca -0.47 -0.10 -0.59 0.00 -0.39 0.00 0.00 57.03 55.49 1ugo h ASP 9 Cb 1.18 0.12 -0.09 0.00 0.68 0.00 0.00 39.33 41.21 1ugo h ASP 9 CO 0.71 -0.16 -0.15 -0.04 -1.61 0.00 0.00 179.24 177.99 1ugo s MET 10 N -5.14 4.27 0.00 0.28 -1.94 -1.26 -4.96 119.30 110.55 1ugo s MET 10 Ca -0.15 0.35 0.00 0.00 -1.71 0.00 0.00 55.69 54.18 1ugo s MET 10 Cb 0.03 -3.48 0.00 0.00 2.01 0.00 0.00 34.83 33.39 1ugo s MET 10 CO 0.56 0.07 0.00 0.41 -0.01 0.00 0.00 175.02 176.05 1ugo n GLY 11 N 3.54 -0.58 3.66 -0.03 0.00 -1.26 -5.10 105.19 105.41 1ugo n GLY 11 Ca -0.07 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 1ugo n GLY 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ugo s ASN 12 N -4.00 6.90 -0.82 1.61 3.84 -1.26 -4.95 114.94 116.26 1ugo s ASN 12 Ca 0.00 1.77 -0.21 0.00 0.21 0.00 0.00 52.86 54.63 1ugo s ASN 12 Cb 0.00 -2.54 0.10 0.00 -0.55 0.00 0.00 41.25 38.26 1ugo s ASN 12 CO 0.00 -0.78 1.07 -1.58 -2.79 0.00 0.00 177.10 173.02 1ugo s GLN 13 N 3.57 3.39 0.32 0.43 0.74 -1.26 -5.00 119.66 121.86 1ugo s GLN 13 Ca 0.57 -1.34 -0.25 0.00 0.05 0.00 0.00 55.36 54.40 1ugo s GLN 13 Cb -0.23 -4.66 -0.15 0.00 1.10 0.00 0.00 33.01 29.07 1ugo s GLN 13 CO 0.17 -1.81 0.53 1.58 -0.55 0.00 0.00 175.29 175.21 1ugo n HIS 14 N 7.16 -0.49 0.30 1.67 -0.00 -1.26 -4.75 115.22 117.85 1ugo n HIS 14 Ca 0.13 0.74 0.14 0.00 -0.00 0.00 0.00 57.72 58.73 1ugo n HIS 14 Cb 0.48 -1.99 0.44 0.00 -0.00 0.00 0.00 29.99 28.92 1ugo n HIS 14 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ugo h PRO 15 N 0.98 0.00 0.04 1.57 0.13 -1.98 -1.09 132.00 131.65 1ugo h PRO 15 Ca -0.36 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.48 1ugo h PRO 15 Cb 1.41 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.51 1ugo h PRO 15 CO 0.54 0.00 -1.59 0.77 -0.23 0.00 0.00 178.00 177.49 1ugo h SER 16 N 0.00 0.14 0.02 1.44 0.02 -1.93 -3.22 113.55 110.02 1ugo h SER 16 Ca 0.00 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1ugo h SER 16 Cb 0.71 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1ugo h SER 16 CO 0.00 1.21 -0.01 0.40 -1.14 0.00 0.00 176.83 177.29 1ugo h ILE 17 N 0.02 1.45 0.00 3.27 1.08 -1.88 -2.05 117.51 119.41 1ugo h ILE 17 Ca -0.25 -1.71 0.00 0.00 -0.39 0.00 0.00 64.86 62.51 1ugo h ILE 17 Cb 1.98 2.57 0.00 0.00 -3.07 0.00 0.00 36.82 38.29 1ugo h ILE 17 CO 0.11 0.42 0.15 -1.28 -0.69 0.00 0.00 178.15 176.87 1ugo h SER 18 N -0.81 0.00 0.00 1.72 0.87 -1.36 -0.25 113.55 113.71 1ugo h SER 18 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1ugo h SER 18 Cb 0.72 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1ugo h SER 18 CO 0.01 0.00 -0.24 -0.09 -0.53 0.00 0.00 176.83 175.97 1ugo h ARG 19 N 0.00 0.00 -0.83 2.24 9.65 -1.55 -3.31 114.38 120.59 1ugo h ARG 19 Ca 0.00 0.00 0.18 0.00 -1.10 0.00 0.00 59.98 59.06 1ugo h ARG 19 Cb 0.31 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 28.78 1ugo h ARG 19 CO 0.00 0.06 0.33 -0.07 2.80 0.00 0.00 179.97 183.09 1ugo h LEU 20 N -1.00 0.26 -1.94 3.80 3.38 -0.75 0.95 115.31 120.01 1ugo h LEU 20 Ca -0.01 0.14 0.21 0.00 0.09 0.00 0.00 57.88 58.31 1ugo h LEU 20 Cb 0.28 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1ugo h LEU 20 CO -0.01 0.04 0.54 1.56 0.09 0.00 0.00 178.44 180.66 1ugo h GLN 21 N 0.40 0.05 0.00 1.13 4.20 -1.22 1.36 115.11 121.04 1ugo h GLN 21 Ca 0.49 -0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.95 1ugo h GLN 21 Cb 0.84 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.57 1ugo h GLN 21 CO -0.48 0.03 -1.29 0.93 -0.67 0.00 0.00 178.83 177.35 1ugo h GLU 22 N 0.05 0.00 0.05 1.46 5.08 0.77 -2.83 114.58 119.16 1ugo h GLU 22 Ca 0.36 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.48 1ugo h GLU 22 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1ugo h GLU 22 CO -0.02 0.75 -1.05 0.82 -1.00 0.00 0.00 179.01 178.50 1ugo h ILE 23 N 0.00 1.44 0.37 3.13 2.04 0.15 -3.09 117.51 121.56 1ugo h ILE 23 Ca -0.13 -2.69 -0.02 0.00 1.00 0.00 0.00 64.86 63.02 1ugo h ILE 23 Cb 1.85 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 40.56 1ugo h ILE 23 CO 0.10 0.79 -0.18 1.56 0.00 0.00 0.00 178.15 180.43 1ugo h GLN 24 N 0.16 -0.48 -0.80 2.37 1.08 0.14 -1.99 115.11 115.59 1ugo h GLN 24 Ca -0.10 0.03 0.23 0.00 -1.45 0.00 0.00 58.65 57.37 1ugo h GLN 24 Cb 1.72 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 29.23 1ugo h GLN 24 CO 0.18 -0.32 0.90 0.07 -0.95 0.00 0.00 178.83 178.71 1ugo h ARG 25 N -0.74 0.00 0.09 1.46 0.11 -1.64 0.35 114.38 114.01 1ugo h ARG 25 Ca -0.05 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.02 1ugo h ARG 25 Cb 0.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.46 1ugo h ARG 25 CO 0.08 0.00 -0.04 0.93 0.10 0.00 0.00 179.97 181.04 1ugo h GLU 26 N 0.00 -0.12 -0.79 0.08 4.39 -1.43 0.70 114.58 117.41 1ugo h GLU 26 Ca 0.38 0.01 0.23 0.00 0.34 0.00 0.00 59.36 60.32 1ugo h GLU 26 Cb 2.18 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 30.83 1ugo h GLU 26 CO -0.00 -0.08 0.58 -0.39 -1.16 0.00 0.00 179.01 177.96 1ugo h VAL 27 N -0.33 0.57 0.22 3.13 -1.51 -0.36 0.48 116.25 118.46 1ugo h VAL 27 Ca -0.01 0.00 -0.30 0.00 -1.23 0.00 0.00 66.70 65.16 1ugo h VAL 27 Cb 0.09 0.59 0.03 0.00 -2.13 0.00 0.00 31.29 29.88 1ugo h VAL 27 CO 0.02 0.00 -1.31 0.11 -1.23 0.00 0.00 177.57 175.16 1ugo h LYS 28 N 0.00 0.48 0.00 5.19 1.57 -0.44 0.14 116.57 123.50 1ugo h LYS 28 Ca 0.37 -0.81 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1ugo h LYS 28 Cb 1.53 0.30 0.00 0.00 0.08 0.00 0.00 32.23 34.14 1ugo h LYS 28 CO -0.00 1.39 0.00 0.00 -0.57 0.00 0.00 179.45 180.26 1ugo n ALA 29 N -2.71 2.03 -0.21 3.86 0.00 0.24 -1.53 120.51 122.18 1ugo n ALA 29 Ca -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1ugo n ALA 29 Cb 1.03 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1ugo n ALA 29 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1ugo n ILE 30 N -1.20 0.01 -0.13 0.00 -6.64 0.11 -4.72 119.36 106.79 1ugo n ILE 30 Ca 0.10 -0.40 -0.09 0.00 -1.77 0.00 0.00 62.75 60.60 1ugo n ILE 30 Cb 0.12 1.21 -0.00 0.00 -1.44 0.00 0.00 39.64 39.52 1ugo n ILE 30 CO 0.00 0.00 0.00 -0.08 -1.77 0.00 0.00 176.55 174.70 1ugo h GLU 31 N 0.00 0.58 0.00 6.28 4.81 0.36 -1.40 114.58 125.22 1ugo h GLU 31 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1ugo h GLU 31 Cb 0.11 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1ugo h GLU 31 CO 0.00 0.52 0.00 -0.35 -0.73 0.00 0.00 179.01 178.45 1ugo n PRO 32 N -4.68 0.47 0.13 0.92 -0.04 -1.26 -1.86 135.00 128.67 1ugo n PRO 32 Ca 0.00 0.05 0.10 0.00 -0.04 0.00 0.00 63.50 63.61 1ugo n PRO 32 Cb 0.11 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.11 1ugo n PRO 32 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1ugo h GLN 33 N 0.00 0.00 0.00 0.54 4.20 -1.55 -3.00 115.11 115.30 1ugo h GLN 33 Ca 0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 1ugo h GLN 33 Cb 0.14 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.86 1ugo h GLN 33 CO 0.00 0.04 -2.33 1.33 -0.67 0.00 0.00 178.83 177.19 1ugo n VAL 34 N -2.81 1.34 -0.26 -0.54 0.24 -0.98 -3.51 118.33 111.82 1ugo n VAL 34 Ca 0.00 -0.62 -0.07 0.00 -2.04 0.00 0.00 64.34 61.62 1ugo n VAL 34 Cb 0.57 -1.06 0.05 0.00 -1.47 0.00 0.00 33.84 31.93 1ugo n VAL 34 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1ugo h VAL 35 N 0.00 1.25 -0.80 3.34 2.07 -1.51 -2.46 116.25 118.14 1ugo h VAL 35 Ca -0.52 -0.85 -0.41 0.00 0.82 0.00 0.00 66.70 65.73 1ugo h VAL 35 Cb 1.94 0.48 -0.25 0.00 -1.52 0.00 0.00 31.29 31.94 1ugo h VAL 35 CO -0.05 0.33 0.43 0.61 0.02 0.00 0.00 177.57 178.92 1ugo n GLY 36 N -0.78 4.59 3.85 2.17 0.00 -1.13 -4.97 105.19 108.92 1ugo n GLY 36 Ca 0.05 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 1ugo n GLY 36 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ugo s PHE 37 N -3.28 3.40 -0.35 1.61 5.36 -0.93 -4.96 117.98 118.84 1ugo s PHE 37 Ca 0.53 1.33 0.01 0.00 -0.96 0.00 0.00 56.93 57.84 1ugo s PHE 37 Cb 0.46 -2.65 0.15 0.00 -0.34 0.00 0.00 43.02 40.64 1ugo s PHE 37 CO 0.08 -0.11 0.31 -1.12 -1.46 0.00 0.00 175.22 172.92 1ugo s SER 38 N -2.65 1.79 -0.30 6.13 0.01 -1.26 -4.64 113.70 112.78 1ugo s SER 38 Ca 0.56 -1.54 -0.16 0.00 1.31 0.00 0.00 55.95 56.12 1ugo s SER 38 Cb -0.10 0.29 0.20 0.00 0.21 0.00 0.00 66.02 66.62 1ugo s SER 38 CO 0.23 -0.30 1.23 -0.83 0.41 0.00 0.00 173.24 173.98 1ugo s GLY 39 N 1.56 0.52 0.39 3.44 0.00 -1.21 -5.06 107.32 106.96 1ugo s GLY 39 Ca 0.15 3.75 -0.27 0.00 0.00 0.00 0.00 44.72 48.35 1ugo s GLY 39 CO -0.10 2.85 1.48 1.08 0.00 0.00 0.00 173.10 178.41 1ugo s LEU 40 N 1.23 4.27 -0.46 0.66 1.43 -1.26 -4.34 118.68 120.22 1ugo s LEU 40 Ca -0.07 3.04 -0.42 0.00 -1.03 0.00 0.00 54.13 55.65 1ugo s LEU 40 Cb -0.02 -3.73 -0.18 0.00 0.03 0.00 0.00 46.19 42.29 1ugo s LEU 40 CO -0.11 -0.96 1.62 -1.54 0.23 0.00 0.00 176.35 175.60 1ugo n SER 41 N 0.30 0.97 -2.71 2.29 3.41 -1.26 -1.76 113.62 114.87 1ugo n SER 41 Ca 0.02 0.94 -0.03 0.00 -0.26 0.00 0.00 58.87 59.54 1ugo n SER 41 Cb 0.40 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1ugo n SER 41 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ugo n ASP 42 N 4.69 -6.86 -0.25 4.04 2.03 -1.26 -4.97 116.55 113.97 1ugo n ASP 42 Ca 0.35 0.18 0.07 0.00 0.52 0.00 0.00 54.79 55.92 1ugo n ASP 42 Cb -0.05 -4.60 0.11 0.00 -0.72 0.00 0.00 41.12 35.86 1ugo n ASP 42 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ugo n ASP 43 N -1.02 1.73 -0.85 1.67 9.92 -0.72 -4.95 116.55 122.33 1ugo n ASP 43 Ca 0.05 -2.88 -0.01 0.00 -0.53 0.00 0.00 54.79 51.42 1ugo n ASP 43 Cb 0.44 -0.38 0.00 0.00 -0.64 0.00 0.00 41.12 40.54 1ugo n ASP 43 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1ugo n LYS 44 N -1.03 -0.25 0.00 -1.24 4.81 -1.26 -4.79 118.16 114.39 1ugo n LYS 44 Ca 0.12 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1ugo n LYS 44 Cb 0.67 -2.62 0.00 0.00 0.02 0.00 0.00 35.03 33.11 1ugo n LYS 44 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ugo n ASN 45 N 0.11 0.00 -0.31 3.14 3.02 -1.26 -4.97 115.26 114.99 1ugo n ASN 45 Ca -0.00 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.58 1ugo n ASN 45 Cb 0.50 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.85 1ugo n ASN 45 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1ugo h TYR 46 N 0.00 0.95 -0.13 3.10 3.20 -1.86 -2.56 116.97 119.67 1ugo h TYR 46 Ca 0.00 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.93 1ugo h TYR 46 Cb 0.00 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 37.92 1ugo h TYR 46 CO 0.00 0.40 -0.44 0.87 -1.64 0.00 0.00 178.16 177.35 1ugo h LYS 47 N 0.87 -0.44 -0.92 1.82 6.56 -1.94 -0.96 116.57 121.56 1ugo h LYS 47 Ca 0.42 0.03 0.10 0.00 -1.06 0.00 0.00 60.65 60.14 1ugo h LYS 47 Cb 0.36 0.10 -0.12 0.00 -0.57 0.00 0.00 32.23 31.99 1ugo h LYS 47 CO -0.24 -0.29 -0.48 -2.13 -2.06 0.00 0.00 179.45 174.24 1ugo n ARG 48 N -4.87 -0.34 -0.04 3.15 0.63 -0.97 0.19 116.66 114.40 1ugo n ARG 48 Ca -0.05 1.40 -0.11 0.00 -0.92 0.00 0.00 57.85 58.17 1ugo n ARG 48 Cb 0.30 -2.06 -0.07 0.00 0.45 0.00 0.00 32.46 31.08 1ugo n ARG 48 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1ugo h LEU 49 N 0.00 -1.31 -0.16 6.15 3.38 -1.25 0.28 115.31 122.41 1ugo h LEU 49 Ca 0.20 0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.38 1ugo h LEU 49 Cb 0.43 0.52 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 1ugo h LEU 49 CO -0.88 -0.33 -0.21 -0.08 0.09 0.00 0.00 178.44 177.03 1ugo h GLU 50 N -0.38 -0.24 -0.97 1.13 4.81 0.55 -0.77 114.58 118.71 1ugo h GLU 50 Ca 0.03 0.02 0.31 0.00 -0.13 0.00 0.00 59.36 59.59 1ugo h GLU 50 Cb 0.48 0.06 -0.17 0.00 0.63 0.00 0.00 28.75 29.74 1ugo h GLU 50 CO -0.37 -0.16 0.30 0.00 -0.73 0.00 0.00 179.01 178.05 1ugo h ARG 51 N -0.25 0.10 0.65 1.92 3.08 0.29 1.29 114.38 121.46 1ugo h ARG 51 Ca 0.11 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1ugo h ARG 51 Cb 0.42 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.45 1ugo h ARG 51 CO -0.31 0.06 -0.32 0.82 -1.07 0.00 0.00 179.97 179.16 1ugo h ILE 52 N 0.10 0.00 0.16 2.04 2.04 0.53 1.34 117.51 123.72 1ugo h ILE 52 Ca 0.68 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.55 1ugo h ILE 52 Cb 1.55 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 1ugo h ILE 52 CO -0.77 0.00 -0.39 -0.07 0.00 0.00 0.00 178.15 176.92 1ugo h LEU 53 N -0.88 -1.13 -0.45 1.44 3.38 -0.47 0.96 115.31 118.15 1ugo h LEU 53 Ca -0.09 0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.09 1ugo h LEU 53 Cb 0.68 0.42 -0.08 0.00 0.09 0.00 0.00 40.66 41.77 1ugo h LEU 53 CO 0.14 -0.48 -0.06 0.00 0.09 0.00 0.00 178.44 178.14 1ugo h THR 54 N -0.65 0.59 0.58 0.22 1.03 0.15 0.92 112.91 115.75 1ugo h THR 54 Ca 0.02 -0.02 -0.02 0.00 -0.01 0.00 0.00 66.41 66.38 1ugo h THR 54 Cb 0.66 0.54 -0.00 0.00 -1.07 0.00 0.00 68.15 68.28 1ugo h THR 54 CO -0.20 0.01 -0.33 0.50 -0.01 0.00 0.00 175.52 175.49 1ugo h LYS 55 N 0.05 -0.82 -0.58 0.00 3.11 0.25 -0.80 116.57 117.77 1ugo h LYS 55 Ca 0.22 0.06 0.10 0.00 -2.81 0.00 0.00 60.65 58.22 1ugo h LYS 55 Cb 0.34 0.19 -0.08 0.00 -1.00 0.00 0.00 32.23 31.67 1ugo h LYS 55 CO -0.43 -0.55 0.14 1.96 -2.81 0.00 0.00 179.45 177.76 1ugo h GLN 56 N -0.85 0.27 -0.17 1.90 1.08 0.16 -1.33 115.11 116.17 1ugo h GLN 56 Ca -0.07 -0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.16 1ugo h GLN 56 Cb 0.68 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.98 1ugo h GLN 56 CO 0.09 0.18 -0.28 1.25 -0.95 0.00 0.00 178.83 179.11 1ugo h LEU 57 N 0.27 -0.89 -1.87 1.46 7.12 0.12 0.38 115.31 121.90 1ugo h LEU 57 Ca 0.30 0.14 0.19 0.00 0.13 0.00 0.00 57.88 58.64 1ugo h LEU 57 Cb 0.43 0.39 -0.03 0.00 -0.53 0.00 0.00 40.66 40.93 1ugo h LEU 57 CO -0.38 -0.32 0.61 0.15 -0.13 0.00 0.00 178.44 178.37 1ugo h PHE 58 N -0.33 0.00 0.03 1.25 3.04 -0.02 0.90 116.94 121.81 1ugo h PHE 58 Ca 0.11 0.00 -0.23 0.00 3.98 0.00 0.00 57.97 61.83 1ugo h PHE 58 Cb 0.51 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.99 1ugo h PHE 58 CO -0.39 0.00 -1.10 0.93 -2.02 0.00 0.00 178.31 175.73 1ugo h GLU 59 N 0.00 0.07 -0.71 1.11 4.39 0.19 -3.05 114.58 116.58 1ugo h GLU 59 Ca 0.30 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 1ugo h GLU 59 Cb 1.52 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 30.18 1ugo h GLU 59 CO -0.00 1.04 0.38 0.82 -1.16 0.00 0.00 179.01 180.08 1ugo h ILE 60 N 0.02 1.22 0.00 3.13 2.04 0.23 -0.54 117.51 123.62 1ugo h ILE 60 Ca -0.06 -0.58 -0.07 0.00 1.00 0.00 0.00 64.86 65.15 1ugo h ILE 60 Cb 1.83 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1ugo h ILE 60 CO 0.15 0.25 -0.35 -0.78 0.00 0.00 0.00 178.15 177.42 1ugo h ASP 61 N 0.98 0.00 -0.41 1.72 3.58 -1.48 -2.64 116.42 118.17 1ugo h ASP 61 Ca 0.25 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.55 1ugo h ASP 61 Cb 0.06 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1ugo h ASP 61 CO -0.04 0.35 -0.32 -1.28 -2.88 0.00 0.00 179.24 175.07 1ugo h SER 62 N 0.00 1.00 -2.06 2.28 0.87 -1.08 -3.42 113.55 111.12 1ugo h SER 62 Ca -0.00 -0.42 -0.58 0.00 -1.23 0.00 0.00 61.79 59.55 1ugo h SER 62 Cb 0.69 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1ugo h SER 62 CO 0.04 1.22 1.29 0.52 -0.53 0.00 0.00 176.83 179.38 1ugo n VAL 63 N -4.08 0.56 -1.58 2.23 0.31 -0.34 -4.94 118.33 110.49 1ugo n VAL 63 Ca -0.01 -0.23 -0.29 0.00 -0.01 0.00 0.00 64.34 63.79 1ugo n VAL 63 Cb 0.51 -2.23 0.12 0.00 -0.91 0.00 0.00 33.84 31.33 1ugo n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ugo s ASP 64 N 5.71 3.90 0.11 4.52 2.15 -1.26 -4.99 116.67 126.81 1ugo s ASP 64 Ca 0.95 1.04 0.00 0.00 0.43 0.00 0.00 52.55 54.97 1ugo s ASP 64 Cb -0.50 -1.66 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 1ugo s ASP 64 CO 0.43 -2.31 0.00 0.35 -0.17 0.00 0.00 175.17 173.47 1ugo n THR 65 N -3.62 0.33 -2.94 1.71 -2.24 -1.26 -4.85 114.28 101.41 1ugo n THR 65 Ca 0.07 0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.83 1ugo n THR 65 Cb 0.59 -1.03 0.03 0.00 -2.10 0.00 0.00 70.33 67.82 1ugo n THR 65 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ugo n GLU 66 N -3.15 -3.75 -3.76 -0.78 2.13 -1.26 -3.61 120.64 106.46 1ugo n GLU 66 Ca 0.00 0.48 -0.29 0.00 0.66 0.00 0.00 57.16 58.01 1ugo n GLU 66 Cb 0.12 -4.44 0.02 0.00 0.27 0.00 0.00 31.44 27.40 1ugo n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ugo n GLY 67 N -1.28 -1.12 0.04 8.31 0.00 -1.26 -4.90 105.19 104.99 1ugo n GLY 67 Ca -0.02 0.49 -0.05 0.00 0.00 0.00 0.00 46.02 46.44 1ugo n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ugo n LYS 68 N -3.50 2.01 0.00 1.61 5.02 -1.24 -5.02 118.16 117.05 1ugo n LYS 68 Ca -0.18 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1ugo n LYS 68 Cb 0.62 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 1ugo n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ugo n GLY 69 N 2.66 2.14 0.35 0.72 0.00 -1.26 -4.71 105.19 105.09 1ugo n GLY 69 Ca -0.14 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.62 1ugo n GLY 69 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ugo h ASP 70 N 0.00 -0.63 0.00 1.61 3.58 -1.97 1.56 116.42 120.57 1ugo h ASP 70 Ca 0.00 0.29 -0.03 0.00 0.42 0.00 0.00 57.03 57.70 1ugo h ASP 70 Cb 0.00 0.53 -0.00 0.00 1.72 0.00 0.00 39.33 41.58 1ugo h ASP 70 CO 0.00 -0.35 -0.22 0.40 -2.88 0.00 0.00 179.24 176.19 1ugo h ILE 71 N 0.00 0.94 -0.95 2.25 2.04 -1.92 -3.19 117.51 116.68 1ugo h ILE 71 Ca 0.56 -1.77 0.27 0.00 1.00 0.00 0.00 64.86 64.92 1ugo h ILE 71 Cb 1.06 1.85 -0.17 0.00 -0.74 0.00 0.00 36.82 38.82 1ugo h ILE 71 CO -0.96 0.32 0.13 -0.61 0.00 0.00 0.00 178.15 177.03 1ugo h GLN 72 N -1.00 0.05 -0.08 2.37 4.15 -1.49 1.02 115.11 120.13 1ugo h GLN 72 Ca -0.05 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1ugo h GLN 72 Cb 0.68 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.36 1ugo h GLN 72 CO -0.03 0.03 0.05 1.96 -1.93 0.00 0.00 178.83 178.92 1ugo h GLN 73 N 0.05 0.11 0.83 1.69 7.50 0.20 -0.17 115.11 125.33 1ugo h GLN 73 Ca 0.61 -0.01 -0.04 0.00 0.50 0.00 0.00 58.65 59.71 1ugo h GLN 73 Cb 1.29 -0.02 0.01 0.00 0.05 0.00 0.00 27.48 28.81 1ugo h GLN 73 CO -0.84 0.09 -0.40 0.00 -1.50 0.00 0.00 178.83 176.18 1ugo h ALA 74 N 1.02 -1.13 -0.02 3.87 0.00 0.38 -0.41 119.26 122.96 1ugo h ALA 74 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ugo h ALA 74 Cb 0.00 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ugo h ALA 74 CO -0.01 -1.05 0.00 -2.13 0.00 0.00 0.00 179.25 176.06 1ugo n ARG 75 N -5.47 0.00 -0.27 0.00 0.63 0.29 0.19 116.66 112.02 1ugo n ARG 75 Ca -0.14 0.93 0.01 0.00 -0.92 0.00 0.00 57.85 57.74 1ugo n ARG 75 Cb 0.44 -1.50 0.08 0.00 0.45 0.00 0.00 32.46 31.94 1ugo n ARG 75 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 1ugo h LYS 76 N 0.00 -0.02 -0.82 -0.14 2.10 -1.10 1.68 116.57 118.27 1ugo h LYS 76 Ca 0.00 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.74 1ugo h LYS 76 Cb 0.00 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.28 1ugo h LYS 76 CO 0.00 -0.01 0.53 0.00 -2.00 0.00 0.00 179.45 177.97 1ugo h ARG 77 N -0.02 0.79 -0.07 0.07 2.47 0.84 -0.07 114.38 118.39 1ugo h ARG 77 Ca 0.36 -0.05 -0.20 0.00 -1.26 0.00 0.00 59.98 58.84 1ugo h ARG 77 Cb 0.57 -0.18 0.01 0.00 -1.65 0.00 0.00 29.97 28.73 1ugo h ARG 77 CO -0.81 0.52 -0.72 0.00 0.56 0.00 0.00 179.97 179.53 1ugo h ALA 78 N 1.58 0.18 -0.87 0.04 0.00 1.16 0.02 119.26 121.38 1ugo h ALA 78 Ca 0.37 -0.59 0.12 0.00 0.00 0.00 0.00 54.91 54.81 1ugo h ALA 78 Cb 0.36 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1ugo h ALA 78 CO -0.14 0.52 0.49 0.00 0.00 0.00 0.00 179.25 180.12 1ugo h ALA 79 N 0.44 1.28 -0.02 0.00 0.00 0.31 0.21 119.26 121.48 1ugo h ALA 79 Ca -0.07 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1ugo h ALA 79 Cb 1.38 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1ugo h ALA 79 CO 0.15 0.05 -0.56 1.96 0.00 0.00 0.00 179.25 180.84 1ugo h GLN 80 N 0.76 0.42 0.20 0.00 4.20 -1.03 -3.03 115.11 116.64 1ugo h GLN 80 Ca 0.44 -0.42 0.01 0.00 0.06 0.00 0.00 58.65 58.74 1ugo h GLN 80 Cb 0.51 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 1ugo h GLN 80 CO -0.30 1.08 -0.50 0.93 -0.67 0.00 0.00 178.83 179.38 1ugo h GLU 81 N -0.07 -0.75 -0.27 1.46 3.07 -0.01 0.33 114.58 118.34 1ugo h GLU 81 Ca -0.06 0.05 0.04 0.00 -0.50 0.00 0.00 59.36 58.89 1ugo h GLU 81 Cb 1.26 0.17 -0.07 0.00 -0.84 0.00 0.00 28.75 29.27 1ugo h GLU 81 CO 0.11 -0.50 -0.52 1.15 -1.40 0.00 0.00 179.01 177.85 1ugo h THR 82 N -0.77 0.00 -0.67 1.13 2.02 -0.74 -0.25 112.91 113.62 1ugo h THR 82 Ca -0.02 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.30 1ugo h THR 82 Cb 0.75 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.04 1ugo h THR 82 CO -0.22 0.00 0.02 -0.33 0.37 0.00 0.00 175.52 175.36 1ugo h GLU 83 N -0.45 0.12 -0.29 6.66 4.39 -1.36 -1.23 114.58 122.42 1ugo h GLU 83 Ca 0.05 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.77 1ugo h GLU 83 Cb 0.60 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.18 1ugo h GLU 83 CO -0.50 0.08 -0.22 -0.09 -1.16 0.00 0.00 179.01 177.13 1ugo h ARG 84 N 0.13 -0.06 -0.39 2.33 2.43 0.15 0.19 114.38 119.16 1ugo h ARG 84 Ca 0.36 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.61 1ugo h ARG 84 Cb 0.60 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.08 1ugo h ARG 84 CO -0.57 -0.04 -0.18 -0.07 -1.51 0.00 0.00 179.97 177.61 1ugo h LEU 85 N -0.06 -0.62 -0.93 3.80 -0.00 -0.90 0.43 115.31 117.04 1ugo h LEU 85 Ca 0.05 0.15 0.20 0.00 -0.00 0.00 0.00 57.88 58.27 1ugo h LEU 85 Cb 0.18 0.34 -0.17 0.00 -0.00 0.00 0.00 40.66 41.00 1ugo h LEU 85 CO -0.30 -0.21 -0.19 0.25 -0.00 0.00 0.00 178.44 177.99 1ugo h LEU 86 N -0.11 -0.79 0.17 1.67 6.46 0.18 0.73 115.31 123.64 1ugo h LEU 86 Ca 0.19 0.27 0.00 0.00 -0.12 0.00 0.00 57.88 58.23 1ugo h LEU 86 Cb 0.40 0.55 -0.01 0.00 -0.73 0.00 0.00 40.66 40.87 1ugo h LEU 86 CO -0.46 -0.31 -0.16 0.11 -0.62 0.00 0.00 178.44 177.01 1ugo h LYS 87 N 0.01 -0.34 -0.98 1.25 1.79 0.14 -1.74 116.57 116.69 1ugo h LYS 87 Ca 0.46 0.02 0.16 0.00 -2.18 0.00 0.00 60.65 59.12 1ugo h LYS 87 Cb 0.75 0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 31.39 1ugo h LYS 87 CO -0.94 -0.23 0.61 0.93 -1.08 0.00 0.00 179.45 178.75 1ugo h GLU 88 N -0.36 0.77 0.32 3.15 4.39 0.10 -2.03 114.58 120.92 1ugo h GLU 88 Ca -0.00 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1ugo h GLU 88 Cb 0.33 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1ugo h GLU 88 CO -0.03 0.51 -0.39 1.25 -1.16 0.00 0.00 179.01 179.19 1ugo h LEU 89 N 0.80 -1.08 -0.97 1.33 5.85 0.93 1.18 115.31 123.34 1ugo h LEU 89 Ca 0.52 0.09 0.12 0.00 0.84 0.00 0.00 57.88 59.46 1ugo h LEU 89 Cb 0.77 0.37 -0.14 0.00 0.37 0.00 0.00 40.66 42.02 1ugo h LEU 89 CO -0.30 -0.49 -0.47 -0.33 -0.34 0.00 0.00 178.44 176.52 1ugo h GLU 90 N -0.72 -0.01 0.67 1.25 5.08 -0.86 0.89 114.58 120.87 1ugo h GLU 90 Ca -0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1ugo h GLU 90 Cb 0.64 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.90 1ugo h GLU 90 CO -0.08 -0.01 -0.32 1.96 -1.00 0.00 0.00 179.01 179.55 1ugo h GLN 91 N -0.02 -0.86 -1.27 2.33 1.08 -1.15 -2.59 115.11 112.63 1ugo h GLN 91 Ca 0.26 0.06 0.45 0.00 -1.45 0.00 0.00 58.65 57.97 1ugo h GLN 91 Cb 0.52 0.20 -0.15 0.00 -0.05 0.00 0.00 27.48 28.00 1ugo h GLN 91 CO -0.95 -0.58 0.79 -0.91 -0.95 0.00 0.00 178.83 176.23 1ugo h ASN 92 N -0.95 0.25 0.00 1.46 2.35 0.24 -0.47 115.58 118.46 1ugo h ASN 92 Ca -0.09 0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1ugo h ASN 92 Cb 0.69 0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.23 1ugo h ASN 92 CO 0.15 -0.28 0.00 0.00 -1.65 0.00 0.00 177.43 175.65 1ugo n ALA 93 N -2.45 -0.07 0.00 -0.83 0.00 0.30 -4.61 120.51 112.85 1ugo n ALA 93 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1ugo n ALA 93 Cb 1.45 0.33 0.00 0.00 0.00 0.00 0.00 19.45 21.23 1ugo n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ugo n SER 94 N -2.12 0.00 -4.95 0.00 2.88 -0.19 -3.34 113.62 105.90 1ugo n SER 94 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1ugo n SER 94 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.51 1ugo n SER 94 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ugo s GLY 95 N -1.11 1.84 0.83 0.46 0.00 -1.26 -5.02 107.32 103.05 1ugo s GLY 95 Ca 0.00 -1.62 -0.12 0.00 0.00 0.00 0.00 44.72 42.98 1ugo s GLY 95 CO 0.00 -1.30 1.11 2.56 0.00 0.00 0.00 173.10 175.47 1ugo s PRO 96 N -4.68 1.85 -0.60 2.90 0.04 -1.26 -3.69 135.00 129.55 1ugo s PRO 96 Ca 0.59 0.55 -0.26 0.00 0.04 0.00 0.00 61.00 61.91 1ugo s PRO 96 Cb -0.09 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.59 1ugo s PRO 96 CO 0.38 -1.76 1.10 -1.12 0.04 0.00 0.00 177.00 175.64 1ugo s SER 97 N -3.94 6.34 0.21 6.66 0.01 -1.26 -4.33 113.70 117.38 1ugo s SER 97 Ca 0.62 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.64 1ugo s SER 97 Cb -0.14 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1ugo s SER 97 CO 0.54 -1.46 0.00 -0.24 0.41 0.00 0.00 173.24 172.49 1ugo n SER 98 N 8.21 -1.90 0.00 2.44 2.88 -1.26 -5.09 113.62 118.91 1ugo n SER 98 Ca 0.04 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 1ugo n SER 98 Cb 0.48 2.00 0.00 0.00 -0.75 0.00 0.00 64.21 65.94 1ugo n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42