#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 -1.25 -1.46 1.61 2.88 -1.26 -4.53 113.62 109.61 1ugo n SER 2 Ca 0.00 1.09 0.18 0.00 -1.33 0.00 0.00 58.87 58.82 1ugo n SER 2 Cb 0.00 -0.97 -0.08 0.00 -0.75 0.00 0.00 64.21 62.41 1ugo n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ugo n SER 3 N 1.97 -8.57 0.00 -3.46 2.88 -1.26 -5.05 113.62 100.14 1ugo n SER 3 Ca 0.16 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.85 1ugo n SER 3 Cb 0.28 -4.79 0.00 0.00 -0.75 0.00 0.00 64.21 58.94 1ugo n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugo n GLY 4 N -4.34 -0.55 0.95 0.46 0.00 -1.26 -5.11 105.19 95.34 1ugo n GLY 4 Ca -0.05 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ugo n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ugo n SER 5 N -0.59 -1.63 -3.15 1.61 3.41 -1.26 -5.11 113.62 106.90 1ugo n SER 5 Ca 0.00 0.59 0.05 0.00 -0.26 0.00 0.00 58.87 59.25 1ugo n SER 5 Cb 0.00 1.77 -0.01 0.00 -0.26 0.00 0.00 64.21 65.71 1ugo n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ugo s SER 6 N -2.00 -0.82 -1.31 4.04 0.15 -1.26 -5.08 113.70 107.42 1ugo s SER 6 Ca 0.00 0.45 -0.18 0.00 0.70 0.00 0.00 55.95 56.92 1ugo s SER 6 Cb 0.00 1.66 0.05 0.00 -1.71 0.00 0.00 66.02 66.03 1ugo s SER 6 CO 0.00 -0.15 1.84 0.61 1.20 0.00 0.00 173.24 176.73 1ugo n GLY 7 N 5.43 2.81 3.20 9.45 0.00 -1.26 -4.87 105.19 119.94 1ugo n GLY 7 Ca -0.03 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 1ugo n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ugo s MET 8 N 4.20 0.36 0.23 1.61 1.75 -1.26 -5.17 119.30 121.02 1ugo s MET 8 Ca 0.54 0.45 0.09 0.00 -1.25 0.00 0.00 55.69 55.52 1ugo s MET 8 Cb 0.06 0.15 -0.04 0.00 2.84 0.00 0.00 34.83 37.84 1ugo s MET 8 CO 0.06 -0.05 0.01 0.34 -0.65 0.00 0.00 175.02 174.72 1ugo s ASP 9 N 0.27 4.69 0.11 1.11 2.15 -1.26 -5.14 116.67 118.60 1ugo s ASP 9 Ca -0.01 -0.53 -0.02 0.00 0.43 0.00 0.00 52.55 52.42 1ugo s ASP 9 Cb -0.03 -0.94 -0.03 0.00 -0.30 0.00 0.00 42.92 41.62 1ugo s ASP 9 CO -0.01 0.03 0.06 -0.04 -0.17 0.00 0.00 175.17 175.05 1ugo s MET 10 N -3.40 0.85 0.02 4.34 -1.94 -1.26 -5.05 119.30 112.87 1ugo s MET 10 Ca 0.30 -1.32 0.00 0.00 -1.71 0.00 0.00 55.69 52.96 1ugo s MET 10 Cb -0.08 0.25 0.00 0.00 2.01 0.00 0.00 34.83 37.02 1ugo s MET 10 CO 0.20 -0.23 0.00 0.41 -0.01 0.00 0.00 175.02 175.38 1ugo n GLY 11 N -0.05 -3.80 2.93 -0.03 0.00 -1.26 -4.89 105.19 98.10 1ugo n GLY 11 Ca -0.09 -0.49 -0.01 0.00 0.00 0.00 0.00 46.02 45.43 1ugo n GLY 11 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ugo n ASN 12 N 0.49 -5.89 -4.56 1.61 4.13 -1.26 -4.69 115.26 105.10 1ugo n ASN 12 Ca 0.00 0.98 -0.32 0.00 1.68 0.00 0.00 54.58 56.93 1ugo n ASN 12 Cb 0.00 -3.18 -0.04 0.00 -1.54 0.00 0.00 39.78 35.02 1ugo n ASN 12 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1ugo s GLN 13 N -0.80 2.73 0.24 3.52 0.74 -1.26 -4.92 119.66 119.90 1ugo s GLN 13 Ca -0.06 -0.18 -0.27 0.00 0.05 0.00 0.00 55.36 54.90 1ugo s GLN 13 Cb 0.00 -4.90 -0.17 0.00 1.10 0.00 0.00 33.01 29.05 1ugo s GLN 13 CO 0.34 -3.02 0.45 1.58 -0.55 0.00 0.00 175.29 174.10 1ugo n HIS 14 N 12.83 -0.74 0.58 1.67 -0.00 -1.26 -4.72 115.22 123.57 1ugo n HIS 14 Ca 0.33 0.91 0.12 0.00 -0.00 0.00 0.00 57.72 59.08 1ugo n HIS 14 Cb 0.49 -1.93 0.46 0.00 -0.00 0.00 0.00 29.99 29.00 1ugo n HIS 14 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1ugo n PRO 15 N 1.05 0.16 0.02 1.57 -0.04 -1.26 -1.32 135.00 135.18 1ugo n PRO 15 Ca 0.17 0.26 0.04 0.00 -0.04 0.00 0.00 63.50 63.93 1ugo n PRO 15 Cb 0.28 -1.74 -0.10 0.00 -0.04 0.00 0.00 33.50 31.90 1ugo n PRO 15 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ugo n SER 16 N -2.04 0.52 0.08 3.54 7.64 -1.26 -3.86 113.62 118.24 1ugo n SER 16 Ca 0.04 0.22 -0.23 0.00 1.01 0.00 0.00 58.87 59.91 1ugo n SER 16 Cb 0.31 0.79 -0.15 0.00 -1.01 0.00 0.00 64.21 64.15 1ugo n SER 16 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1ugo h ILE 17 N 0.00 0.95 -0.02 0.44 1.08 -1.84 -3.17 117.51 114.95 1ugo h ILE 17 Ca -0.15 -2.52 0.01 0.00 -0.39 0.00 0.00 64.86 61.81 1ugo h ILE 17 Cb 1.42 2.78 -0.00 0.00 -3.07 0.00 0.00 36.82 37.95 1ugo h ILE 17 CO 0.02 0.86 0.03 -1.28 -0.69 0.00 0.00 178.15 177.09 1ugo h SER 18 N 0.11 0.00 0.00 1.72 0.87 -1.37 -0.96 113.55 113.92 1ugo h SER 18 Ca -0.34 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.21 1ugo h SER 18 Cb 2.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.07 1ugo h SER 18 CO 0.18 0.00 -0.05 -0.09 -0.53 0.00 0.00 176.83 176.35 1ugo h ARG 19 N 0.00 0.02 -0.97 2.24 9.65 -1.67 -3.19 114.38 120.46 1ugo h ARG 19 Ca 0.01 -0.03 0.10 0.00 -1.10 0.00 0.00 59.98 58.96 1ugo h ARG 19 Cb 0.07 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.58 1ugo h ARG 19 CO -0.00 0.91 0.61 -0.07 2.80 0.00 0.00 179.97 184.22 1ugo h LEU 20 N -0.85 0.93 -2.13 3.80 3.38 -1.34 0.32 115.31 119.42 1ugo h LEU 20 Ca -0.01 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1ugo h LEU 20 Cb 0.93 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1ugo h LEU 20 CO 0.01 0.54 0.13 1.56 0.09 0.00 0.00 178.44 180.76 1ugo h GLN 21 N 1.03 0.00 0.00 1.13 4.20 -1.27 1.15 115.11 121.34 1ugo h GLN 21 Ca 0.46 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.12 1ugo h GLN 21 Cb 0.35 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1ugo h GLN 21 CO -0.23 0.00 -0.73 0.93 -0.67 0.00 0.00 178.83 178.14 1ugo h GLU 22 N 0.00 0.00 0.12 1.46 5.08 -0.41 -2.99 114.58 117.84 1ugo h GLU 22 Ca 0.07 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.10 1ugo h GLU 22 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1ugo h GLU 22 CO -0.00 0.11 -1.78 0.82 -1.00 0.00 0.00 179.01 177.17 1ugo h ILE 23 N 0.00 0.87 0.42 3.13 2.04 0.81 -3.29 117.51 121.49 1ugo h ILE 23 Ca -0.03 -2.55 -0.02 0.00 1.00 0.00 0.00 64.86 63.26 1ugo h ILE 23 Cb 1.15 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 1ugo h ILE 23 CO 0.02 0.81 -0.20 1.56 0.00 0.00 0.00 178.15 180.34 1ugo h GLN 24 N 0.07 -0.55 -0.29 2.37 4.20 0.11 -1.05 115.11 119.97 1ugo h GLN 24 Ca -0.34 0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.49 1ugo h GLN 24 Cb 2.04 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.94 1ugo h GLN 24 CO 0.13 -0.27 0.46 0.07 -0.67 0.00 0.00 178.83 178.55 1ugo h ARG 25 N -0.78 0.00 0.02 1.46 0.11 -1.70 0.71 114.38 114.20 1ugo h ARG 25 Ca -0.06 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.02 1ugo h ARG 25 Cb 0.54 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.62 1ugo h ARG 25 CO 0.10 0.00 -0.01 0.93 0.10 0.00 0.00 179.97 181.09 1ugo h GLU 26 N 0.00 -0.02 -0.64 0.08 4.39 -1.49 0.10 114.58 117.00 1ugo h GLU 26 Ca 0.14 0.00 0.18 0.00 0.34 0.00 0.00 59.36 60.02 1ugo h GLU 26 Cb 1.05 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.68 1ugo h GLU 26 CO -0.00 -0.01 0.46 -0.39 -1.16 0.00 0.00 179.01 177.90 1ugo h VAL 27 N -0.27 0.69 0.10 3.13 -1.51 -0.68 0.31 116.25 118.02 1ugo h VAL 27 Ca -0.00 -0.00 -0.27 0.00 -1.23 0.00 0.00 66.70 65.20 1ugo h VAL 27 Cb 0.02 0.68 0.03 0.00 -2.13 0.00 0.00 31.29 29.88 1ugo h VAL 27 CO 0.00 0.00 -1.11 0.50 -1.23 0.00 0.00 177.57 175.73 1ugo h LYS 28 N 0.01 0.58 0.00 5.19 1.63 0.31 0.74 116.57 125.04 1ugo h LYS 28 Ca 0.30 -0.76 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 1ugo h LYS 28 Cb 1.20 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 33.07 1ugo h LYS 28 CO -0.01 1.33 0.00 0.00 -3.45 0.00 0.00 179.45 177.33 1ugo n ALA 29 N -2.67 1.56 0.02 5.00 0.00 0.85 -1.04 120.51 124.24 1ugo n ALA 29 Ca -0.13 -0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.27 1ugo n ALA 29 Cb 0.92 -1.20 0.01 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 -1.50 0.40 -0.18 0.00 -6.64 0.28 -4.65 119.36 107.07 1ugo n ILE 30 Ca 0.03 -0.70 -0.09 0.00 -1.77 0.00 0.00 62.75 60.22 1ugo n ILE 30 Cb 0.14 0.82 0.01 0.00 -1.44 0.00 0.00 39.64 39.17 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 0.24 0.78 0.00 6.28 4.81 0.87 -1.62 114.58 125.94 1ugo h GLU 31 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1ugo h GLU 31 Cb 0.24 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1ugo h GLU 31 CO 0.00 0.74 0.00 -0.35 -0.73 0.00 0.00 179.01 178.67 1ugo n PRO 32 N -4.49 0.75 0.00 0.92 -0.04 -1.26 -1.23 135.00 129.66 1ugo n PRO 32 Ca 0.01 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.59 1ugo n PRO 32 Cb 0.20 -1.46 0.09 0.00 -0.04 0.00 0.00 33.50 32.29 1ugo n PRO 32 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ugo n GLN 33 N -0.96 0.07 -0.01 0.54 6.02 -0.61 -3.68 117.38 118.75 1ugo n GLN 33 Ca 0.17 -0.05 -0.01 0.00 -0.01 0.00 0.00 57.00 57.10 1ugo n GLN 33 Cb 0.08 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.83 1ugo n GLN 33 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1ugo n VAL 34 N -1.42 0.08 0.20 5.09 3.14 -0.89 -4.25 118.33 120.27 1ugo n VAL 34 Ca 0.05 -0.03 -0.15 0.00 -2.96 0.00 0.00 64.34 61.25 1ugo n VAL 34 Cb 0.34 -0.60 -0.07 0.00 -1.06 0.00 0.00 33.84 32.45 1ugo n VAL 34 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1ugo h VAL 35 N 0.00 0.55 -0.97 1.55 2.07 -1.36 -2.70 116.25 115.38 1ugo h VAL 35 Ca -0.03 0.00 -0.65 0.00 0.82 0.00 0.00 66.70 66.84 1ugo h VAL 35 Cb 1.05 0.55 -0.30 0.00 -1.52 0.00 0.00 31.29 31.07 1ugo h VAL 35 CO -0.00 0.00 0.71 0.61 0.02 0.00 0.00 177.57 178.91 1ugo n GLY 36 N -1.34 5.78 3.91 2.17 0.00 -1.24 -4.94 105.19 109.54 1ugo n GLY 36 Ca -0.10 -2.21 -0.27 0.00 0.00 0.00 0.00 46.02 43.44 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 -3.76 3.41 -0.20 1.61 5.36 -1.02 -4.94 117.98 118.46 1ugo s PHE 37 Ca 0.63 0.72 -0.08 0.00 -0.96 0.00 0.00 56.93 57.24 1ugo s PHE 37 Cb 0.50 -2.50 0.08 0.00 -0.34 0.00 0.00 43.02 40.76 1ugo s PHE 37 CO 0.00 -0.53 0.44 -1.12 -1.46 0.00 0.00 175.22 172.55 1ugo s SER 38 N -4.20 -0.41 0.00 6.13 0.01 -1.26 -4.66 113.70 109.31 1ugo s SER 38 Ca 0.50 1.01 0.00 0.00 1.31 0.00 0.00 55.95 58.78 1ugo s SER 38 Cb -0.10 1.20 0.00 0.00 0.21 0.00 0.00 66.02 67.33 1ugo s SER 38 CO 0.45 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.49 1ugo n GLY 39 N 4.97 -0.30 3.91 3.44 0.00 -1.21 -5.02 105.19 110.98 1ugo n GLY 39 Ca -0.14 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 1ugo n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ugo s LEU 40 N 0.00 2.67 -0.44 0.99 1.43 -1.26 -3.25 118.68 118.82 1ugo s LEU 40 Ca 0.00 -1.26 0.01 0.00 -1.03 0.00 0.00 54.13 51.84 1ugo s LEU 40 Cb 0.00 -1.16 0.43 0.00 0.03 0.00 0.00 46.19 45.49 1ugo s LEU 40 CO 0.00 -1.14 1.88 -1.20 0.23 0.00 0.00 176.35 176.12 1ugo n SER 41 N -1.80 5.51 0.00 2.29 7.64 -1.26 -4.20 113.62 121.80 1ugo n SER 41 Ca -0.01 -3.38 0.00 0.00 1.01 0.00 0.00 58.87 56.49 1ugo n SER 41 Cb 0.64 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1ugo n SER 41 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ugo n ASP 42 N -0.57 0.00 -3.64 6.43 2.03 -1.26 -4.92 116.55 114.62 1ugo n ASP 42 Ca 0.48 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.60 1ugo n ASP 42 Cb 1.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.37 1ugo n ASP 42 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1ugo n ASP 43 N 0.00 2.62 -2.94 1.67 -0.08 -1.26 -5.00 116.55 111.56 1ugo n ASP 43 Ca 0.00 -2.28 -0.31 0.00 -1.51 0.00 0.00 54.79 50.68 1ugo n ASP 43 Cb 0.00 0.15 -0.07 0.00 2.34 0.00 0.00 41.12 43.54 1ugo n ASP 43 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1ugo n LYS 44 N -0.91 3.27 0.03 -0.67 0.00 -1.26 -3.65 118.16 114.97 1ugo n LYS 44 Ca -0.09 -1.97 0.00 0.00 0.00 0.00 0.00 58.31 56.25 1ugo n LYS 44 Cb 0.38 -2.55 0.00 0.00 0.00 0.00 0.00 35.03 32.86 1ugo n LYS 44 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1ugo n ASN 45 N 3.08 -0.50 -0.35 3.14 2.85 -1.26 -4.98 115.26 117.24 1ugo n ASN 45 Ca 0.67 0.52 -0.00 0.00 -0.11 0.00 0.00 54.58 55.66 1ugo n ASN 45 Cb 0.43 0.88 0.05 0.00 1.24 0.00 0.00 39.78 42.38 1ugo n ASN 45 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1ugo h TYR 46 N 0.00 -0.96 -0.33 1.20 3.20 -1.83 0.13 116.97 118.38 1ugo h TYR 46 Ca 0.00 0.10 0.03 0.00 3.14 0.00 0.00 58.73 62.00 1ugo h TYR 46 Cb 0.00 0.56 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 1ugo h TYR 46 CO 0.00 -0.40 -0.29 0.87 -1.64 0.00 0.00 178.16 176.70 1ugo h LYS 47 N -0.02 -0.11 -0.66 1.82 6.56 -1.92 0.10 116.57 122.34 1ugo h LYS 47 Ca 0.35 0.01 0.11 0.00 -1.06 0.00 0.00 60.65 60.06 1ugo h LYS 47 Cb 0.61 0.03 -0.12 0.00 -0.57 0.00 0.00 32.23 32.17 1ugo h LYS 47 CO -0.94 -0.08 -0.34 -0.09 -2.06 0.00 0.00 179.45 175.94 1ugo h ARG 48 N -0.12 -0.13 -0.68 3.15 2.43 -1.34 1.53 114.38 119.23 1ugo h ARG 48 Ca 0.06 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.36 1ugo h ARG 48 Cb 0.26 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 29.72 1ugo h ARG 48 CO -0.38 -0.09 -0.30 -0.07 -1.51 0.00 0.00 179.97 177.63 1ugo h LEU 49 N -0.13 -1.06 0.13 3.80 3.38 0.19 0.50 115.31 122.11 1ugo h LEU 49 Ca 0.25 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.45 1ugo h LEU 49 Cb 0.56 0.57 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1ugo h LEU 49 CO -0.73 -0.29 -0.06 -0.08 0.09 0.00 0.00 178.44 177.37 1ugo h GLU 50 N -0.10 -0.17 -0.95 1.13 4.81 0.17 -2.64 114.58 116.82 1ugo h GLU 50 Ca 0.28 0.01 0.30 0.00 -0.13 0.00 0.00 59.36 59.82 1ugo h GLU 50 Cb 0.55 0.04 -0.15 0.00 0.63 0.00 0.00 28.75 29.82 1ugo h GLU 50 CO -0.74 0.20 0.38 0.00 -0.73 0.00 0.00 179.01 178.12 1ugo h ARG 51 N -0.56 0.20 0.76 1.92 3.08 0.33 1.04 114.38 121.14 1ugo h ARG 51 Ca -0.02 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1ugo h ARG 51 Cb 0.44 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.45 1ugo h ARG 51 CO 0.03 0.13 -0.37 0.82 -1.07 0.00 0.00 179.97 179.51 1ugo h ILE 52 N 0.20 0.14 0.23 2.04 2.04 0.05 0.69 117.51 122.91 1ugo h ILE 52 Ca 0.66 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 66.36 1ugo h ILE 52 Cb 1.48 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 1ugo h ILE 52 CO -0.68 0.01 -0.44 -0.07 0.00 0.00 0.00 178.15 176.97 1ugo h LEU 53 N -1.17 -1.27 -0.79 1.44 3.38 -0.40 1.26 115.31 117.77 1ugo h LEU 53 Ca -0.10 0.13 0.13 0.00 0.09 0.00 0.00 57.88 58.12 1ugo h LEU 53 Cb 0.80 0.46 -0.09 0.00 0.09 0.00 0.00 40.66 41.92 1ugo h LEU 53 CO 0.17 -0.54 0.38 0.00 0.09 0.00 0.00 178.44 178.54 1ugo h THR 54 N -0.75 0.74 0.42 0.22 1.03 0.95 0.65 112.91 116.17 1ugo h THR 54 Ca -0.00 -0.20 -0.02 0.00 -0.01 0.00 0.00 66.41 66.18 1ugo h THR 54 Cb 0.73 0.12 0.00 0.00 -1.07 0.00 0.00 68.15 67.94 1ugo h THR 54 CO -0.19 0.10 -0.20 0.50 -0.01 0.00 0.00 175.52 175.72 1ugo h LYS 55 N 0.57 -0.54 -0.89 0.00 1.63 0.14 -2.10 116.57 115.37 1ugo h LYS 55 Ca 0.42 0.04 0.24 0.00 -0.85 0.00 0.00 60.65 60.49 1ugo h LYS 55 Cb 0.56 0.12 -0.14 0.00 -0.60 0.00 0.00 32.23 32.18 1ugo h LYS 55 CO -0.35 -0.36 0.32 1.96 -3.45 0.00 0.00 179.45 177.57 1ugo h GLN 56 N -0.68 0.26 0.02 1.90 1.08 0.19 0.12 115.11 118.01 1ugo h GLN 56 Ca -0.06 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1ugo h GLN 56 Cb 0.43 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.75 1ugo h GLN 56 CO 0.09 0.18 -0.39 1.25 -0.95 0.00 0.00 178.83 179.01 1ugo h LEU 57 N 0.27 -1.16 -1.86 1.46 7.12 0.37 0.24 115.31 121.76 1ugo h LEU 57 Ca 0.57 0.14 0.29 0.00 0.13 0.00 0.00 57.88 59.01 1ugo h LEU 57 Cb 1.16 0.45 -0.04 0.00 -0.53 0.00 0.00 40.66 41.70 1ugo h LEU 57 CO -0.61 -0.44 0.82 0.15 -0.13 0.00 0.00 178.44 178.22 1ugo h PHE 58 N -0.56 0.00 0.01 1.25 3.04 -0.04 1.51 116.94 122.15 1ugo h PHE 58 Ca 0.05 0.00 -0.20 0.00 3.98 0.00 0.00 57.97 61.79 1ugo h PHE 58 Cb 0.63 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.11 1ugo h PHE 58 CO -0.39 0.00 -0.97 0.93 -2.02 0.00 0.00 178.31 175.87 1ugo h GLU 59 N 0.00 0.03 -0.47 1.11 4.39 -0.19 -2.76 114.58 116.69 1ugo h GLU 59 Ca 0.47 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.10 1ugo h GLU 59 Cb 2.10 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.74 1ugo h GLU 59 CO -0.00 0.97 0.20 0.82 -1.16 0.00 0.00 179.01 179.83 1ugo h ILE 60 N 0.01 1.20 -0.03 3.13 2.04 0.35 -1.90 117.51 122.30 1ugo h ILE 60 Ca -0.02 -0.61 -0.10 0.00 1.00 0.00 0.00 64.86 65.13 1ugo h ILE 60 Cb 1.69 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 1ugo h ILE 60 CO 0.13 0.23 -0.43 -0.78 0.00 0.00 0.00 178.15 177.30 1ugo h ASP 61 N 0.62 0.07 -0.93 1.72 1.82 -1.46 -2.67 116.42 115.60 1ugo h ASP 61 Ca 0.16 -0.03 0.02 0.00 -0.39 0.00 0.00 57.03 56.79 1ugo h ASP 61 Cb 0.17 -0.02 -0.05 0.00 0.68 0.00 0.00 39.33 40.11 1ugo h ASP 61 CO -0.02 0.50 0.61 0.28 -1.61 0.00 0.00 179.24 179.01 1ugo h SER 62 N 0.06 1.05 -1.52 2.28 0.02 -1.06 -3.41 113.55 110.97 1ugo h SER 62 Ca 0.00 -0.02 -0.64 0.00 -0.84 0.00 0.00 61.79 60.29 1ugo h SER 62 Cb 0.78 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1ugo h SER 62 CO 0.06 0.74 1.41 0.52 -1.14 0.00 0.00 176.83 178.42 1ugo n VAL 63 N -4.41 0.29 -2.01 2.27 0.31 -0.88 -4.86 118.33 109.04 1ugo n VAL 63 Ca 0.11 -0.31 -0.42 0.00 -0.01 0.00 0.00 64.34 63.71 1ugo n VAL 63 Cb 0.05 -2.00 -0.03 0.00 -0.91 0.00 0.00 33.84 30.95 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 7.29 6.66 -0.25 4.52 2.15 -1.26 -4.91 116.67 130.87 1ugo s ASP 64 Ca 1.04 2.47 -0.13 0.00 0.43 0.00 0.00 52.55 56.36 1ugo s ASP 64 Cb -0.65 -2.58 -0.15 0.00 -0.30 0.00 0.00 42.92 39.24 1ugo s ASP 64 CO 0.44 -0.80 -0.18 0.35 -0.17 0.00 0.00 175.17 174.82 1ugo n THR 65 N 4.29 1.54 -3.61 1.71 -2.24 -1.26 -4.91 114.28 109.79 1ugo n THR 65 Ca 0.14 -0.36 -0.24 0.00 -2.27 0.00 0.00 64.05 61.32 1ugo n THR 65 Cb 0.40 -1.83 0.08 0.00 -2.10 0.00 0.00 70.33 66.88 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 -4.09 -7.65 -4.21 -0.78 2.13 -1.26 -2.33 120.64 102.45 1ugo n GLU 66 Ca -0.47 0.81 -0.30 0.00 0.66 0.00 0.00 57.16 57.86 1ugo n GLU 66 Cb 0.87 -5.85 -0.09 0.00 0.27 0.00 0.00 31.44 26.64 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 -1.91 -0.13 0.12 8.31 0.00 -1.26 -4.82 105.19 105.50 1ugo n GLY 67 Ca -0.02 0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.32 0.64 0.00 1.61 5.02 -0.99 -5.03 118.16 115.09 1ugo n LYS 68 Ca -0.28 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1ugo n LYS 68 Cb 0.64 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 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 1.64 2.69 0.59 0.72 0.00 -1.26 -4.83 105.19 104.73 1ugo n GLY 69 Ca -0.35 -0.77 0.38 0.00 0.00 0.00 0.00 46.02 45.28 1ugo n GLY 69 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ugo h ASP 70 N 0.00 0.00 0.00 1.61 3.32 -1.96 0.63 116.42 120.03 1ugo h ASP 70 Ca 0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 1ugo h ASP 70 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1ugo h ASP 70 CO 0.00 0.00 -2.33 -0.38 -1.72 0.00 0.00 179.24 174.81 1ugo n ILE 71 N -3.76 1.48 0.01 0.35 5.41 -1.26 -3.75 119.36 117.83 1ugo n ILE 71 Ca 0.30 -0.32 0.21 0.00 1.00 0.00 0.00 62.75 63.95 1ugo n ILE 71 Cb 1.56 -1.92 0.57 0.00 -0.71 0.00 0.00 39.64 39.14 1ugo n ILE 71 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1ugo h GLN 72 N -0.96 0.00 0.00 0.38 4.15 -1.26 1.57 115.11 118.98 1ugo h GLN 72 Ca -0.61 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 58.75 1ugo h GLN 72 Cb 1.53 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.21 1ugo h GLN 72 CO -0.37 0.00 -0.40 1.96 -1.93 0.00 0.00 178.83 178.09 1ugo h GLN 73 N 0.00 0.00 0.52 1.69 4.20 -0.03 -3.26 115.11 118.23 1ugo h GLN 73 Ca 0.28 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.96 1ugo h GLN 73 Cb 1.85 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.64 1ugo h GLN 73 CO -0.00 0.69 -0.25 0.00 -0.67 0.00 0.00 178.83 178.60 1ugo h ALA 74 N -0.45 -0.70 -0.38 3.87 0.00 -0.70 -1.19 119.26 119.71 1ugo h ALA 74 Ca -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ugo h ALA 74 Cb 0.83 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ugo h ALA 74 CO -0.06 -0.71 0.00 -2.13 0.00 0.00 0.00 179.25 176.35 1ugo n ARG 75 N -5.27 0.00 -0.17 0.00 0.63 0.50 0.21 116.66 112.57 1ugo n ARG 75 Ca -0.10 0.82 -0.03 0.00 -0.92 0.00 0.00 57.85 57.62 1ugo n ARG 75 Cb 0.31 -1.26 0.03 0.00 0.45 0.00 0.00 32.46 32.00 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 -0.04 -0.82 -0.14 2.10 -1.66 1.19 116.57 117.20 1ugo h LYS 76 Ca 0.00 0.00 0.17 0.00 -2.00 0.00 0.00 60.65 58.82 1ugo h LYS 76 Cb 0.00 0.01 -0.10 0.00 -0.90 0.00 0.00 32.23 31.23 1ugo h LYS 76 CO 0.00 -0.03 0.35 0.00 -2.00 0.00 0.00 179.45 177.77 1ugo h ARG 77 N -0.04 0.45 -0.04 0.07 2.47 0.68 0.53 114.38 118.49 1ugo h ARG 77 Ca 0.25 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.90 1ugo h ARG 77 Cb 0.42 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1ugo h ARG 77 CO -0.55 0.30 -0.13 0.00 0.56 0.00 0.00 179.97 180.14 1ugo h ALA 78 N 1.60 0.07 -0.92 0.04 0.00 0.58 -0.78 119.26 119.86 1ugo h ALA 78 Ca 0.47 -0.36 0.19 0.00 0.00 0.00 0.00 54.91 55.21 1ugo h ALA 78 Cb 0.77 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.44 1ugo h ALA 78 CO -0.44 -0.02 0.49 0.00 0.00 0.00 0.00 179.25 179.28 1ugo h ALA 79 N 0.43 1.47 -0.13 0.00 0.00 0.27 0.26 119.26 121.56 1ugo h ALA 79 Ca -0.00 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1ugo h ALA 79 Cb 0.75 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ugo h ALA 79 CO 0.03 -0.17 -0.18 1.96 0.00 0.00 0.00 179.25 180.90 1ugo h GLN 80 N 0.59 0.34 -0.33 0.00 4.20 0.05 -1.14 115.11 118.81 1ugo h GLN 80 Ca 0.54 -0.20 0.07 0.00 0.06 0.00 0.00 58.65 59.12 1ugo h GLN 80 Cb 0.89 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.61 1ugo h GLN 80 CO -0.42 0.77 -0.11 1.49 -0.67 0.00 0.00 178.83 179.89 1ugo h GLU 81 N -0.06 -0.04 0.51 1.46 4.81 0.55 0.66 114.58 122.46 1ugo h GLU 81 Ca 0.01 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1ugo h GLU 81 Cb 0.73 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1ugo h GLU 81 CO 0.04 -0.03 -0.24 1.15 -0.73 0.00 0.00 179.01 179.20 1ugo h THR 82 N -0.04 0.47 -0.55 0.32 2.02 -0.61 -2.36 112.91 112.16 1ugo h THR 82 Ca 0.17 -0.21 0.16 0.00 0.77 0.00 0.00 66.41 67.30 1ugo h THR 82 Cb 0.29 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1ugo h THR 82 CO -0.37 0.03 0.43 -0.33 0.37 0.00 0.00 175.52 175.66 1ugo h GLU 83 N -0.81 0.00 0.41 6.66 4.39 -0.82 -0.36 114.58 124.04 1ugo h GLU 83 Ca -0.07 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 1ugo h GLU 83 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1ugo h GLU 83 CO 0.11 0.00 -0.20 -0.09 -1.16 0.00 0.00 179.01 177.68 1ugo h ARG 84 N 0.00 -0.53 -0.86 2.33 9.65 0.84 -2.65 114.38 123.15 1ugo h ARG 84 Ca 0.26 0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 59.16 1ugo h ARG 84 Cb 1.13 0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 29.79 1ugo h ARG 84 CO -0.00 -0.29 0.46 -0.07 2.80 0.00 0.00 179.97 182.88 1ugo h LEU 85 N -0.67 1.09 -1.92 3.80 3.38 -0.85 -0.04 115.31 120.10 1ugo h LEU 85 Ca -0.06 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1ugo h LEU 85 Cb 0.49 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1ugo h LEU 85 CO 0.09 0.88 0.40 -0.07 0.09 0.00 0.00 178.44 179.83 1ugo h LEU 86 N 1.21 0.00 0.15 1.67 3.38 -0.93 0.59 115.31 121.39 1ugo h LEU 86 Ca 0.30 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.91 1ugo h LEU 86 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ugo h LEU 86 CO -0.05 0.00 -1.88 0.50 0.09 0.00 0.00 178.44 177.11 1ugo h LYS 87 N 0.00 0.33 -0.40 1.13 3.64 -0.67 -3.36 116.57 117.24 1ugo h LYS 87 Ca 0.07 -0.56 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 1ugo h LYS 87 Cb 0.87 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 1ugo h LYS 87 CO -0.00 1.26 0.18 0.93 -2.27 0.00 0.00 179.45 179.55 1ugo h GLU 88 N 0.09 0.58 -0.63 1.90 4.39 0.54 -3.07 114.58 118.37 1ugo h GLU 88 Ca -0.38 -0.09 0.06 0.00 0.34 0.00 0.00 59.36 59.29 1ugo h GLU 88 Cb 2.07 -0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 30.53 1ugo h GLU 88 CO 0.13 0.52 -0.46 1.25 -1.16 0.00 0.00 179.01 179.29 1ugo h LEU 89 N 0.50 -1.65 -0.41 1.33 5.85 -0.70 1.41 115.31 121.63 1ugo h LEU 89 Ca 0.14 0.24 0.04 0.00 0.84 0.00 0.00 57.88 59.14 1ugo h LEU 89 Cb 0.14 0.71 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 1ugo h LEU 89 CO -0.02 -0.23 -0.36 -0.33 -0.34 0.00 0.00 178.44 177.16 1ugo h GLU 90 N -0.11 -0.15 0.30 1.25 5.08 -1.68 0.97 114.58 120.24 1ugo h GLU 90 Ca 0.10 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1ugo h GLU 90 Cb 0.38 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1ugo h GLU 90 CO -0.66 -0.10 -0.49 1.96 -1.00 0.00 0.00 179.01 178.73 1ugo h GLN 91 N -0.15 -0.81 -0.84 2.33 4.20 -1.12 -2.11 115.11 116.61 1ugo h GLN 91 Ca 0.07 0.05 0.15 0.00 0.06 0.00 0.00 58.65 58.99 1ugo h GLN 91 Cb 0.33 0.18 -0.15 0.00 0.30 0.00 0.00 27.48 28.14 1ugo h GLN 91 CO -0.46 -0.54 -0.28 -0.91 -0.67 0.00 0.00 178.83 175.97 1ugo h ASN 92 N -0.84 -1.02 0.00 1.46 2.35 0.25 -2.58 115.58 115.20 1ugo h ASN 92 Ca -0.03 0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1ugo h ASN 92 Cb 0.77 0.60 0.00 0.00 0.05 0.00 0.00 38.32 39.74 1ugo h ASN 92 CO -0.16 -0.29 0.00 0.00 -1.65 0.00 0.00 177.43 175.33 1ugo n ALA 93 N -3.38 0.00 0.11 -0.83 0.00 0.33 -4.55 120.51 112.20 1ugo n ALA 93 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1ugo n ALA 93 Cb 0.41 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.69 -2.06 -4.78 0.00 2.88 -0.97 -3.35 113.62 104.65 1ugo n SER 94 Ca 0.00 0.63 -0.33 0.00 -1.33 0.00 0.00 58.87 57.83 1ugo n SER 94 Cb 0.00 2.13 0.02 0.00 -0.75 0.00 0.00 64.21 65.61 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 -2.00 2.29 1.09 0.46 0.00 -1.26 -4.90 107.32 103.01 1ugo s GLY 95 Ca 0.00 0.57 -0.18 0.00 0.00 0.00 0.00 44.72 45.11 1ugo s GLY 95 CO 0.00 0.91 1.22 2.56 0.00 0.00 0.00 173.10 177.79 1ugo s PRO 96 N -3.81 -0.36 -0.08 2.90 0.04 -1.26 -3.53 135.00 128.90 1ugo s PRO 96 Ca 0.67 -0.27 -0.03 0.00 0.04 0.00 0.00 61.00 61.41 1ugo s PRO 96 Cb -0.19 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1ugo s PRO 96 CO 0.34 -3.10 -0.07 1.03 0.04 0.00 0.00 177.00 175.25 1ugo h SER 97 N -2.14 0.00 -5.15 6.66 0.87 -1.91 -3.44 113.55 108.43 1ugo h SER 97 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1ugo h SER 97 Cb 1.26 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.18 1ugo h SER 97 CO 0.35 0.43 -1.16 -1.20 -0.53 0.00 0.00 176.83 174.72 1ugo n SER 98 N -3.87 -5.93 0.00 6.23 7.64 -1.26 -5.12 113.62 111.30 1ugo n SER 98 Ca -0.03 1.39 0.00 0.00 1.01 0.00 0.00 58.87 61.24 1ugo n SER 98 Cb 0.10 -5.20 0.00 0.00 -1.01 0.00 0.00 64.21 58.10 1ugo n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64