#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 -6.81 0.00 1.61 7.64 -1.26 -5.07 113.62 109.73 1ugo n SER 2 Ca 0.00 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.79 1ugo n SER 2 Cb 0.00 -3.16 0.00 0.00 -1.01 0.00 0.00 64.21 60.04 1ugo n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ugo n SER 3 N -0.35 0.00 -0.24 6.43 2.88 -1.26 -5.15 113.62 115.93 1ugo n SER 3 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ugo n SER 3 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 0.12 2.18 0.46 0.00 -1.26 -4.95 105.19 101.74 1ugo n GLY 4 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1ugo n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ugo n SER 5 N -3.54 -3.24 0.00 1.61 7.64 -1.26 -5.16 113.62 109.67 1ugo n SER 5 Ca 0.00 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.61 1ugo n SER 5 Cb 0.00 3.10 0.00 0.00 -1.01 0.00 0.00 64.21 66.30 1ugo n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ugo n SER 6 N -3.30 0.00 -4.31 6.43 2.88 -1.26 -5.17 113.62 108.89 1ugo n SER 6 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1ugo n SER 6 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 1ugo n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ugo s GLY 7 N 0.00 1.29 0.08 0.46 0.00 -1.26 -5.14 107.32 102.76 1ugo s GLY 7 Ca 0.00 -1.16 0.05 0.00 0.00 0.00 0.00 44.72 43.61 1ugo s GLY 7 CO 0.00 -1.01 -0.03 -3.16 0.00 0.00 0.00 173.10 168.90 1ugo s MET 8 N -0.89 2.46 -0.20 2.90 0.00 -1.26 -4.87 119.30 117.44 1ugo s MET 8 Ca 0.10 -0.86 -0.12 0.00 0.00 0.00 0.00 55.69 54.82 1ugo s MET 8 Cb -0.10 -2.49 0.04 0.00 0.00 0.00 0.00 34.83 32.29 1ugo s MET 8 CO 0.00 0.54 0.23 -0.25 0.00 0.00 0.00 175.02 175.55 1ugo n ASP 9 N 0.73 -1.07 -3.15 -1.18 9.92 -1.26 -5.06 116.55 115.48 1ugo n ASP 9 Ca -0.12 1.37 0.05 0.00 -0.53 0.00 0.00 54.79 55.55 1ugo n ASP 9 Cb 0.52 -5.30 -0.01 0.00 -0.64 0.00 0.00 41.12 35.69 1ugo n ASP 9 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1ugo s MET 10 N -0.77 0.33 0.00 -1.24 1.75 -1.26 -5.16 119.30 112.95 1ugo s MET 10 Ca -0.27 0.57 0.00 0.00 -1.25 0.00 0.00 55.69 54.75 1ugo s MET 10 Cb 0.02 0.31 0.00 0.00 2.84 0.00 0.00 34.83 38.00 1ugo s MET 10 CO 0.80 -0.38 0.00 0.41 -0.65 0.00 0.00 175.02 175.20 1ugo n GLY 11 N 5.44 -1.13 2.55 2.11 0.00 -1.26 -5.13 105.19 107.77 1ugo n GLY 11 Ca -0.04 -1.60 -0.06 0.00 0.00 0.00 0.00 46.02 44.33 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 3.00 -0.47 -4.03 1.61 4.13 -1.26 -4.97 115.26 113.27 1ugo n ASN 12 Ca 0.00 1.30 -0.33 0.00 1.68 0.00 0.00 54.58 57.23 1ugo n ASN 12 Cb 0.00 -5.12 -0.13 0.00 -1.54 0.00 0.00 39.78 32.99 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 -0.71 1.90 0.30 3.52 0.74 -1.26 -5.09 119.66 119.06 1ugo s GLN 13 Ca -0.28 -2.19 -0.27 0.00 0.05 0.00 0.00 55.36 52.68 1ugo s GLN 13 Cb 0.02 -3.40 -0.14 0.00 1.10 0.00 0.00 33.01 30.59 1ugo s GLN 13 CO 0.77 -1.05 0.82 1.58 -0.55 0.00 0.00 175.29 176.86 1ugo n HIS 14 N 3.86 0.57 0.29 1.67 -0.00 -1.26 -4.78 115.22 115.58 1ugo n HIS 14 Ca 0.04 0.73 0.14 0.00 -0.00 0.00 0.00 57.72 58.63 1ugo n HIS 14 Cb 0.38 -2.14 0.44 0.00 -0.00 0.00 0.00 29.99 28.67 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 1.53 0.00 0.00 1.57 0.13 -1.98 -0.35 132.00 132.90 1ugo h PRO 15 Ca -0.38 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.68 1ugo h PRO 15 Cb 1.37 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 1ugo h PRO 15 CO 0.58 0.00 -1.03 0.77 -0.23 0.00 0.00 178.00 178.09 1ugo h SER 16 N 0.00 0.00 0.04 1.44 0.02 -1.93 -3.26 113.55 109.86 1ugo h SER 16 Ca 0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 1ugo h SER 16 Cb 0.72 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 1ugo h SER 16 CO 0.00 0.28 -1.09 0.40 -1.14 0.00 0.00 176.83 175.28 1ugo h ILE 17 N 0.00 1.12 -0.09 3.27 1.08 -1.86 -3.14 117.51 117.88 1ugo h ILE 17 Ca -0.06 -2.29 0.03 0.00 -0.39 0.00 0.00 64.86 62.14 1ugo h ILE 17 Cb 1.27 2.63 -0.00 0.00 -3.07 0.00 0.00 36.82 37.64 1ugo h ILE 17 CO 0.03 0.52 0.23 -1.28 -0.69 0.00 0.00 178.15 176.96 1ugo h SER 18 N -0.73 0.00 0.05 1.72 0.87 -1.22 0.83 113.55 115.07 1ugo h SER 18 Ca -0.27 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.22 1ugo h SER 18 Cb 1.42 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.39 1ugo h SER 18 CO -0.07 0.00 -0.31 -0.09 -0.53 0.00 0.00 176.83 175.83 1ugo h ARG 19 N 0.00 0.10 -0.75 2.24 9.65 -1.65 -3.14 114.38 120.84 1ugo h ARG 19 Ca 0.04 -0.17 0.01 0.00 -1.10 0.00 0.00 59.98 58.77 1ugo h ARG 19 Cb 0.51 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.12 1ugo h ARG 19 CO -0.00 1.08 0.49 -0.07 2.80 0.00 0.00 179.97 184.27 1ugo h LEU 20 N -0.79 0.84 -1.64 3.80 3.38 -1.05 0.16 115.31 120.00 1ugo h LEU 20 Ca -0.06 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 57.99 1ugo h LEU 20 Cb 1.22 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1ugo h LEU 20 CO 0.04 0.61 0.40 1.56 0.09 0.00 0.00 178.44 181.14 1ugo h GLN 21 N 1.00 0.39 0.07 1.13 4.20 -1.02 0.82 115.11 121.69 1ugo h GLN 21 Ca 0.28 -0.02 -0.25 0.00 0.06 0.00 0.00 58.65 58.72 1ugo h GLN 21 Cb -0.09 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.60 1ugo h GLN 21 CO -0.07 0.26 -1.09 0.93 -0.67 0.00 0.00 178.83 178.20 1ugo h GLU 22 N 0.41 0.33 -0.19 1.46 4.39 -1.11 -2.38 114.58 117.49 1ugo h GLU 22 Ca 0.27 -0.44 -0.18 0.00 0.34 0.00 0.00 59.36 59.35 1ugo h GLU 22 Cb 0.53 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1ugo h GLU 22 CO -0.07 1.15 -0.62 0.82 -1.16 0.00 0.00 179.01 179.13 1ugo h ILE 23 N 0.14 1.31 0.26 3.13 2.04 0.86 -2.86 117.51 122.40 1ugo h ILE 23 Ca -0.10 -1.86 -0.01 0.00 1.00 0.00 0.00 64.86 63.88 1ugo h ILE 23 Cb 1.77 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 1ugo h ILE 23 CO 0.18 0.59 -0.12 1.56 0.00 0.00 0.00 178.15 180.35 1ugo h GLN 24 N 0.50 -0.33 -1.29 2.37 4.20 0.53 -1.19 115.11 119.90 1ugo h GLN 24 Ca -0.01 0.02 0.37 0.00 0.06 0.00 0.00 58.65 59.10 1ugo h GLN 24 Cb 1.20 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 29.01 1ugo h GLN 24 CO 0.12 -0.22 1.11 0.07 -0.67 0.00 0.00 178.83 179.24 1ugo h ARG 25 N -0.42 0.00 0.00 1.46 0.11 -1.54 0.73 114.38 114.72 1ugo h ARG 25 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1ugo h ARG 25 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 1ugo h ARG 25 CO 0.06 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.52 1ugo n GLU 26 N -3.71 0.00 -0.07 0.08 -0.58 -1.08 0.36 120.64 115.63 1ugo n GLU 26 Ca 0.28 0.46 0.25 0.00 -0.42 0.00 0.00 57.16 57.73 1ugo n GLU 26 Cb 1.51 -1.13 0.72 0.00 -0.57 0.00 0.00 31.44 31.97 1ugo n GLU 26 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1ugo h VAL 27 N 0.00 0.49 0.06 2.62 -1.51 0.08 0.51 116.25 118.49 1ugo h VAL 27 Ca 0.00 0.00 -0.20 0.00 -1.23 0.00 0.00 66.70 65.27 1ugo h VAL 27 Cb 0.00 0.58 0.02 0.00 -2.13 0.00 0.00 31.29 29.76 1ugo h VAL 27 CO 0.00 0.00 -0.81 0.50 -1.23 0.00 0.00 177.57 176.03 1ugo h LYS 28 N 0.00 0.45 0.00 5.19 3.64 0.37 -1.39 116.57 124.82 1ugo h LYS 28 Ca 0.33 -0.56 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1ugo h LYS 28 Cb 1.47 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 1ugo h LYS 28 CO -0.00 1.21 0.00 0.00 -2.27 0.00 0.00 179.45 178.39 1ugo h ALA 29 N 0.26 1.00 -0.32 5.00 0.00 0.46 0.11 119.26 125.77 1ugo h ALA 29 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ugo h ALA 29 Cb 1.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1ugo h ALA 29 CO 0.16 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.85 1ugo n ILE 30 N -2.58 1.21 -0.04 0.00 -6.64 0.38 -4.52 119.36 107.16 1ugo n ILE 30 Ca -0.00 -1.14 -0.16 0.00 -1.77 0.00 0.00 62.75 59.68 1ugo n ILE 30 Cb 0.16 0.38 -0.08 0.00 -1.44 0.00 0.00 39.64 38.66 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 1.90 0.61 0.00 6.28 4.81 0.38 -2.91 114.58 125.65 1ugo h GLU 31 Ca 0.00 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1ugo h GLU 31 Cb 0.84 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1ugo h GLU 31 CO 0.04 1.08 0.00 -0.35 -0.73 0.00 0.00 179.01 179.05 1ugo n PRO 32 N -4.18 0.75 0.00 0.92 -0.04 -1.26 -1.52 135.00 129.67 1ugo n PRO 32 Ca -0.07 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.50 1ugo n PRO 32 Cb 0.61 -1.44 0.08 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.94 0.68 -0.00 0.54 6.02 -1.10 -3.45 117.38 119.13 1ugo n GLN 33 Ca 0.16 -0.52 -0.00 0.00 -0.01 0.00 0.00 57.00 56.63 1ugo n GLN 33 Cb 0.07 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 29.84 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 -0.71 0.05 -0.09 5.09 3.14 -0.88 -4.12 118.33 120.81 1ugo n VAL 34 Ca 0.08 -0.02 -0.12 0.00 -2.96 0.00 0.00 64.34 61.32 1ugo n VAL 34 Cb 0.39 -0.73 -0.05 0.00 -1.06 0.00 0.00 33.84 32.40 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 1.29 -0.62 1.55 2.07 -1.47 -2.93 116.25 116.15 1ugo h VAL 35 Ca -0.02 -1.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.29 1ugo h VAL 35 Cb 1.03 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 1ugo h VAL 35 CO -0.00 0.36 0.08 0.61 0.02 0.00 0.00 177.57 178.64 1ugo n GLY 36 N -0.08 3.15 3.83 2.17 0.00 -1.22 -4.97 105.19 108.06 1ugo n GLY 36 Ca -0.04 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.81 2.84 -0.29 1.61 5.36 -1.11 -4.97 117.98 118.61 1ugo s PHE 37 Ca 0.54 0.98 -0.04 0.00 -0.96 0.00 0.00 56.93 57.46 1ugo s PHE 37 Cb 0.42 -3.25 0.19 0.00 -0.34 0.00 0.00 43.02 40.04 1ugo s PHE 37 CO 0.15 -1.85 0.84 -1.12 -1.46 0.00 0.00 175.22 171.78 1ugo s SER 38 N -4.12 -0.97 0.00 6.13 0.01 -1.26 -4.89 113.70 108.60 1ugo s SER 38 Ca 0.61 0.18 0.00 0.00 1.31 0.00 0.00 55.95 58.06 1ugo s SER 38 Cb -0.13 1.64 0.00 0.00 0.21 0.00 0.00 66.02 67.74 1ugo s SER 38 CO 0.53 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.61 1ugo n GLY 39 N 5.29 0.37 3.75 3.44 0.00 -1.19 -5.09 105.19 111.76 1ugo n GLY 39 Ca 0.05 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 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 1.81 -1.35 0.99 1.43 -1.26 -3.35 118.68 116.95 1ugo s LEU 40 Ca 0.00 0.99 -0.06 0.00 -1.03 0.00 0.00 54.13 54.02 1ugo s LEU 40 Cb 0.00 -3.22 0.10 0.00 0.03 0.00 0.00 46.19 43.10 1ugo s LEU 40 CO 0.00 -2.84 2.41 -1.54 0.23 0.00 0.00 176.35 174.61 1ugo n SER 41 N -3.96 7.90 0.00 2.29 3.41 -1.26 -3.74 113.62 118.26 1ugo n SER 41 Ca 0.07 -3.08 0.00 0.00 -0.26 0.00 0.00 58.87 55.60 1ugo n SER 41 Cb 0.59 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 1ugo n SER 41 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ugo n ASP 42 N 2.09 0.00 -4.87 4.04 5.75 -1.26 -4.98 116.55 117.32 1ugo n ASP 42 Ca 0.63 0.00 -0.23 0.00 -0.01 0.00 0.00 54.79 55.18 1ugo n ASP 42 Cb 0.25 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.31 1ugo n ASP 42 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ugo s ASP 43 N 0.00 4.85 -1.16 -1.12 2.15 -1.25 -4.97 116.67 115.18 1ugo s ASP 43 Ca 0.00 -0.93 -0.07 0.00 0.43 0.00 0.00 52.55 51.98 1ugo s ASP 43 Cb 0.00 -0.28 -0.08 0.00 -0.30 0.00 0.00 42.92 42.26 1ugo s ASP 43 CO 0.00 -0.77 2.53 0.29 -0.17 0.00 0.00 175.17 177.05 1ugo n LYS 44 N -1.58 2.74 0.00 4.34 5.02 -1.26 -2.89 118.16 124.53 1ugo n LYS 44 Ca 0.02 -1.72 0.00 0.00 -2.02 0.00 0.00 58.31 54.59 1ugo n LYS 44 Cb 0.63 -2.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 1ugo n LYS 44 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ugo n ASN 45 N 3.82 -0.01 -0.16 4.39 2.85 -1.26 -4.97 115.26 119.92 1ugo n ASN 45 Ca 0.58 0.03 -0.02 0.00 -0.11 0.00 0.00 54.58 55.06 1ugo n ASN 45 Cb 0.21 0.06 0.07 0.00 1.24 0.00 0.00 39.78 41.36 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 0.21 -0.90 1.20 5.03 -1.83 0.60 116.97 121.28 1ugo h TYR 46 Ca 0.00 0.03 0.13 0.00 2.58 0.00 0.00 58.73 61.47 1ugo h TYR 46 Cb 0.00 -0.02 -0.07 0.00 1.55 0.00 0.00 36.73 38.19 1ugo h TYR 46 CO 0.00 0.02 0.58 0.87 -1.32 0.00 0.00 178.16 178.31 1ugo h LYS 47 N 0.27 0.75 0.82 1.82 1.79 -1.92 0.06 116.57 120.16 1ugo h LYS 47 Ca 0.25 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.64 1ugo h LYS 47 Cb 0.32 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1ugo h LYS 47 CO -0.31 0.49 -0.44 -0.09 -1.08 0.00 0.00 179.45 178.03 1ugo h ARG 48 N 0.77 -1.12 0.26 3.15 2.43 -1.18 0.50 114.38 119.18 1ugo h ARG 48 Ca 0.44 0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 1ugo h ARG 48 Cb 0.62 0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 1ugo h ARG 48 CO -0.21 -0.75 -0.48 -0.07 -1.51 0.00 0.00 179.97 176.96 1ugo h LEU 49 N -1.16 -1.39 -1.39 3.80 4.07 -0.79 0.30 115.31 118.75 1ugo h LEU 49 Ca -0.11 0.13 0.24 0.00 0.08 0.00 0.00 57.88 58.22 1ugo h LEU 49 Cb 0.91 0.49 -0.09 0.00 1.08 0.00 0.00 40.66 43.05 1ugo h LEU 49 CO 0.16 -0.55 0.65 -0.08 -1.08 0.00 0.00 178.44 177.53 1ugo h GLU 50 N -0.79 0.41 0.00 1.13 4.81 -0.99 1.01 114.58 120.16 1ugo h GLU 50 Ca -0.03 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1ugo h GLU 50 Cb 0.74 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1ugo h GLU 50 CO -0.18 0.27 -0.46 0.00 -0.73 0.00 0.00 179.01 177.91 1ugo h ARG 51 N 0.42 0.00 0.01 1.92 2.47 0.17 -2.56 114.38 116.82 1ugo h ARG 51 Ca 0.56 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.28 1ugo h ARG 51 Cb 1.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 1ugo h ARG 51 CO -0.26 0.46 -0.00 0.82 0.56 0.00 0.00 179.97 181.55 1ugo h ILE 52 N 0.00 0.00 -0.44 2.04 2.04 0.46 -1.98 117.51 119.63 1ugo h ILE 52 Ca -0.00 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.89 1ugo h ILE 52 Cb 0.83 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 1ugo h ILE 52 CO 0.06 0.00 -0.26 0.18 0.00 0.00 0.00 178.15 178.13 1ugo n LEU 53 N -2.04 -0.46 -0.30 1.44 7.99 -0.54 0.11 117.00 123.19 1ugo n LEU 53 Ca -0.00 1.28 0.13 0.00 -0.01 0.00 0.00 56.01 57.41 1ugo n LEU 53 Cb 0.00 -0.35 0.29 0.00 -0.11 0.00 0.00 43.42 43.25 1ugo n LEU 53 CO 0.00 -0.88 0.91 0.00 -1.51 0.00 0.00 177.39 175.91 1ugo h THR 54 N 0.00 0.24 0.42 -5.08 1.03 -1.59 1.75 112.91 109.68 1ugo h THR 54 Ca 0.07 -0.05 -0.02 0.00 -0.01 0.00 0.00 66.41 66.40 1ugo h THR 54 Cb 0.18 0.08 0.00 0.00 -1.07 0.00 0.00 68.15 67.35 1ugo h THR 54 CO -0.41 0.03 -0.20 0.11 -0.01 0.00 0.00 175.52 175.04 1ugo h LYS 55 N 0.14 -0.54 -0.85 0.00 1.57 0.16 -1.56 116.57 115.49 1ugo h LYS 55 Ca 0.56 0.04 0.19 0.00 -1.87 0.00 0.00 60.65 59.56 1ugo h LYS 55 Cb 1.15 0.12 -0.11 0.00 0.08 0.00 0.00 32.23 33.47 1ugo h LYS 55 CO -0.72 -0.36 0.36 1.96 -0.57 0.00 0.00 179.45 180.13 1ugo h GLN 56 N -0.63 0.43 -0.18 3.15 1.08 0.18 0.11 115.11 119.25 1ugo h GLN 56 Ca -0.06 -0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1ugo h GLN 56 Cb 0.43 -0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 27.70 1ugo h GLN 56 CO 0.09 0.28 -0.28 1.25 -0.95 0.00 0.00 178.83 179.22 1ugo h LEU 57 N 0.44 -0.90 -1.87 1.46 7.12 0.27 0.43 115.31 122.26 1ugo h LEU 57 Ca 0.50 0.14 0.16 0.00 0.13 0.00 0.00 57.88 58.82 1ugo h LEU 57 Cb 0.87 0.40 -0.02 0.00 -0.53 0.00 0.00 40.66 41.38 1ugo h LEU 57 CO -0.47 -0.32 0.57 0.15 -0.13 0.00 0.00 178.44 178.24 1ugo h PHE 58 N -0.33 0.00 0.05 1.25 3.04 0.07 0.82 116.94 121.84 1ugo h PHE 58 Ca 0.11 0.00 -0.25 0.00 3.98 0.00 0.00 57.97 61.82 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 -0.40 0.00 -1.20 0.93 -2.02 0.00 0.00 178.31 175.62 1ugo h GLU 59 N 0.00 0.10 -0.15 1.11 4.39 0.09 -3.06 114.58 117.05 1ugo h GLU 59 Ca 0.26 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1ugo h GLU 59 Cb 1.40 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.11 1ugo h GLU 59 CO -0.00 1.01 0.07 0.82 -1.16 0.00 0.00 179.01 179.74 1ugo h ILE 60 N 0.03 1.14 -0.12 3.13 2.04 0.24 -1.56 117.51 122.40 1ugo h ILE 60 Ca -0.10 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1ugo h ILE 60 Cb 1.88 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 1ugo h ILE 60 CO 0.15 0.13 -0.01 -0.78 0.00 0.00 0.00 178.15 177.63 1ugo h ASP 61 N 0.10 0.15 0.28 1.72 1.82 -1.46 -2.51 116.42 116.52 1ugo h ASP 61 Ca 0.05 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 1ugo h ASP 61 Cb 0.14 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.12 1ugo h ASP 61 CO -0.01 0.20 -0.14 -1.28 -1.61 0.00 0.00 179.24 176.41 1ugo h SER 62 N 0.17 -0.32 -1.02 2.28 0.87 -1.25 -3.43 113.55 110.84 1ugo h SER 62 Ca 0.04 -0.06 -0.85 0.00 -1.23 0.00 0.00 61.79 59.69 1ugo h SER 62 Cb 0.14 0.08 0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1ugo h SER 62 CO 0.00 -0.14 0.50 0.52 -0.53 0.00 0.00 176.83 177.18 1ugo n VAL 63 N -5.21 0.01 -3.25 2.23 0.31 -0.66 -4.87 118.33 106.88 1ugo n VAL 63 Ca -0.10 -0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.85 1ugo n VAL 63 Cb 0.20 -0.37 -0.06 0.00 -0.91 0.00 0.00 33.84 32.71 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 2.06 6.94 -0.61 4.52 2.15 -1.26 -5.01 116.67 125.46 1ugo s ASP 64 Ca 1.00 1.12 0.04 0.00 0.43 0.00 0.00 52.55 55.15 1ugo s ASP 64 Cb -1.41 -2.35 0.15 0.00 -0.30 0.00 0.00 42.92 39.01 1ugo s ASP 64 CO 0.73 0.14 0.38 0.42 -0.17 0.00 0.00 175.17 176.67 1ugo s THR 65 N -0.32 2.61 -0.70 1.71 -4.23 -1.26 -4.93 115.64 108.51 1ugo s THR 65 Ca 0.29 -3.75 -0.09 0.00 -1.18 0.00 0.00 61.69 56.96 1ugo s THR 65 Cb -0.18 -2.76 -0.08 0.00 1.34 0.00 0.00 72.50 70.83 1ugo s THR 65 CO 0.16 -0.92 1.87 1.21 -0.54 0.00 0.00 174.62 176.40 1ugo n GLU 66 N 2.54 1.54 -3.69 3.99 2.13 -1.26 -4.48 120.64 121.40 1ugo n GLU 66 Ca 0.13 -1.36 -0.25 0.00 0.66 0.00 0.00 57.16 56.34 1ugo n GLU 66 Cb 0.34 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.58 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 4.01 -1.03 0.02 8.31 0.00 -1.26 -4.86 105.19 110.38 1ugo n GLY 67 Ca 0.38 0.47 -0.03 0.00 0.00 0.00 0.00 46.02 46.84 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 -2.75 0.23 0.00 1.61 5.02 -1.26 -5.05 118.16 115.96 1ugo n LYS 68 Ca -0.24 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 1ugo n LYS 68 Cb 0.57 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 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 3.28 2.40 0.42 0.72 0.00 -1.26 -4.76 105.19 105.99 1ugo n GLY 69 Ca -0.07 -0.61 0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 0.28 0.00 1.61 3.32 -1.99 1.74 116.42 121.38 1ugo h ASP 70 Ca 0.00 0.18 -0.23 0.00 0.02 0.00 0.00 57.03 57.00 1ugo h ASP 70 Cb 0.00 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1ugo h ASP 70 CO 0.00 -0.27 -1.37 -0.38 -1.72 0.00 0.00 179.24 175.50 1ugo n ILE 71 N -4.89 1.52 -0.30 0.35 5.41 -1.26 -3.44 119.36 116.73 1ugo n ILE 71 Ca 0.38 -0.05 0.14 0.00 1.00 0.00 0.00 62.75 64.22 1ugo n ILE 71 Cb 1.39 -2.07 0.32 0.00 -0.71 0.00 0.00 39.64 38.57 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 -1.00 0.33 0.51 0.38 4.15 -1.32 1.01 115.11 119.16 1ugo h GLN 72 Ca -0.35 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.02 1ugo h GLN 72 Cb 1.24 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.86 1ugo h GLN 72 CO -0.21 0.22 -0.24 1.96 -1.93 0.00 0.00 178.83 178.62 1ugo h GLN 73 N 0.34 -0.66 0.43 1.69 7.50 0.23 -0.35 115.11 124.30 1ugo h GLN 73 Ca 0.57 0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.76 1ugo h GLN 73 Cb 1.13 0.15 -0.02 0.00 0.05 0.00 0.00 27.48 28.78 1ugo h GLN 73 CO -0.57 -0.36 -0.45 0.00 -1.50 0.00 0.00 178.83 175.95 1ugo h ALA 74 N -0.54 -0.99 -0.06 3.87 0.00 -1.14 0.54 119.26 120.95 1ugo h ALA 74 Ca -0.07 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1ugo h ALA 74 Cb 0.60 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1ugo h ALA 74 CO 0.11 -1.10 -0.08 -0.09 0.00 0.00 0.00 179.25 178.10 1ugo h ARG 75 N -0.90 -0.06 -1.02 0.00 2.43 0.93 1.56 114.38 117.33 1ugo h ARG 75 Ca -0.04 0.00 0.26 0.00 -0.81 0.00 0.00 59.98 59.39 1ugo h ARG 75 Cb 0.80 0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 30.24 1ugo h ARG 75 CO -0.07 -0.04 0.61 1.57 -1.51 0.00 0.00 179.97 180.53 1ugo h LYS 76 N -0.06 0.49 -0.03 0.20 2.10 -0.99 1.81 116.57 120.10 1ugo h LYS 76 Ca 0.01 -0.03 -0.08 0.00 -2.00 0.00 0.00 60.65 58.55 1ugo h LYS 76 Cb 0.09 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.29 1ugo h LYS 76 CO -0.09 0.33 -0.34 0.00 -2.00 0.00 0.00 179.45 177.35 1ugo h ARG 77 N 0.51 0.05 0.11 0.07 2.47 0.30 -2.37 114.38 115.52 1ugo h ARG 77 Ca 0.65 -0.02 -0.30 0.00 -1.26 0.00 0.00 59.98 59.05 1ugo h ARG 77 Cb 1.36 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.66 1ugo h ARG 77 CO -0.45 0.39 -1.50 0.00 0.56 0.00 0.00 179.97 178.97 1ugo h ALA 78 N 1.61 0.29 0.00 0.04 0.00 1.32 -2.48 119.26 120.03 1ugo h ALA 78 Ca 0.00 -1.11 -0.00 0.00 0.00 0.00 0.00 54.91 53.81 1ugo h ALA 78 Cb 0.64 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ugo h ALA 78 CO 0.05 1.16 -0.01 0.00 0.00 0.00 0.00 179.25 180.45 1ugo h ALA 79 N 0.54 1.07 0.01 0.00 0.00 0.23 -2.00 119.26 119.11 1ugo h ALA 79 Ca -0.23 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.38 1ugo h ALA 79 Cb 2.00 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.75 1ugo h ALA 79 CO 0.16 0.01 -1.58 1.04 0.00 0.00 0.00 179.25 178.87 1ugo n GLN 80 N -3.19 0.58 -0.06 0.00 6.02 -0.92 -3.84 117.38 115.97 1ugo n GLN 80 Ca -0.02 0.49 -0.11 0.00 -0.01 0.00 0.00 57.00 57.35 1ugo n GLN 80 Cb 0.11 -1.69 -0.07 0.00 1.02 0.00 0.00 30.24 29.60 1ugo n GLN 80 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1ugo h GLU 81 N -0.92 -0.35 -0.46 -1.09 3.07 -1.05 1.52 114.58 115.31 1ugo h GLU 81 Ca -0.43 0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.51 1ugo h GLU 81 Cb 1.42 0.08 -0.09 0.00 -0.84 0.00 0.00 28.75 29.33 1ugo h GLU 81 CO -0.23 -0.23 -0.55 1.15 -1.40 0.00 0.00 179.01 177.74 1ugo h THR 82 N -0.36 0.01 0.00 1.13 2.02 -1.60 1.04 112.91 115.15 1ugo h THR 82 Ca 0.04 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 1ugo h THR 82 Cb 0.47 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1ugo h THR 82 CO -0.39 0.00 -0.01 -0.33 0.37 0.00 0.00 175.52 175.17 1ugo h GLU 83 N -0.36 0.00 -0.33 6.66 4.39 -1.50 0.27 114.58 123.71 1ugo h GLU 83 Ca 0.09 0.00 -0.18 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 -0.63 0.01 -0.49 -0.09 -1.16 0.00 0.00 179.01 176.65 1ugo h ARG 84 N 0.00 0.91 0.02 2.33 2.43 1.03 -3.00 114.38 118.10 1ugo h ARG 84 Ca -0.00 -0.54 -0.06 0.00 -0.81 0.00 0.00 59.98 58.56 1ugo h ARG 84 Cb 0.05 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1ugo h ARG 84 CO 0.00 1.18 -0.27 -0.07 -1.51 0.00 0.00 179.97 179.31 1ugo h LEU 85 N 0.71 0.19 -0.97 3.80 3.38 0.54 -2.74 115.31 120.23 1ugo h LEU 85 Ca 0.03 -0.86 0.21 0.00 0.09 0.00 0.00 57.88 57.35 1ugo h LEU 85 Cb 1.10 -0.06 -0.18 0.00 0.09 0.00 0.00 40.66 41.60 1ugo h LEU 85 CO 0.11 1.04 -0.18 0.18 0.09 0.00 0.00 178.44 179.68 1ugo n LEU 86 N -4.48 -0.30 -0.12 1.67 4.77 -0.06 0.19 117.00 118.67 1ugo n LEU 86 Ca -0.10 1.67 -0.12 0.00 -0.03 0.00 0.00 56.01 57.43 1ugo n LEU 86 Cb 0.54 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1ugo n LEU 86 CO 0.39 -1.62 0.69 0.11 -1.33 0.00 0.00 177.39 175.63 1ugo h LYS 87 N 0.00 0.70 -0.59 3.23 1.79 -1.60 -3.00 116.57 117.11 1ugo h LYS 87 Ca 0.49 -0.29 0.11 0.00 -2.18 0.00 0.00 60.65 58.78 1ugo h LYS 87 Cb 0.82 -0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 31.36 1ugo h LYS 87 CO -0.98 0.89 0.10 0.93 -1.08 0.00 0.00 179.45 179.31 1ugo h GLU 88 N 0.49 0.22 0.23 3.15 4.39 0.24 0.26 114.58 123.55 1ugo h GLU 88 Ca 0.08 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1ugo h GLU 88 Cb 0.65 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 1ugo h GLU 88 CO 0.04 0.15 -0.44 1.25 -1.16 0.00 0.00 179.01 178.85 1ugo h LEU 89 N 0.23 -1.29 -1.76 1.33 5.85 0.03 1.01 115.31 120.72 1ugo h LEU 89 Ca 0.31 0.12 0.18 0.00 0.84 0.00 0.00 57.88 59.33 1ugo h LEU 89 Cb 0.46 0.46 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 1ugo h LEU 89 CO -0.41 -0.51 0.51 -0.33 -0.34 0.00 0.00 178.44 177.36 1ugo h GLU 90 N -0.72 0.21 0.00 1.25 5.08 -1.26 1.07 114.58 120.21 1ugo h GLU 90 Ca -0.02 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 1ugo h GLU 90 Cb 0.68 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1ugo h GLU 90 CO -0.17 0.14 -0.63 1.96 -1.00 0.00 0.00 179.01 179.31 1ugo h GLN 91 N 0.22 0.00 -0.36 2.33 4.20 0.14 -2.98 115.11 118.66 1ugo h GLN 91 Ca 0.36 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.04 1ugo h GLN 91 Cb 1.10 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.86 1ugo h GLN 91 CO -0.08 0.63 0.02 0.09 -0.67 0.00 0.00 178.83 178.83 1ugo n ASN 92 N -3.56 4.17 0.00 1.46 3.02 0.33 -4.71 115.26 115.97 1ugo n ASN 92 Ca -0.00 -3.09 0.00 0.00 -0.03 0.00 0.00 54.58 51.46 1ugo n ASN 92 Cb 0.68 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 1ugo n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ugo n ALA 93 N -0.35 0.00 0.00 5.41 0.00 0.31 -4.02 120.51 121.86 1ugo n ALA 93 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1ugo n ALA 93 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.45 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 0.00 -3.73 0.00 2.88 -1.21 -3.15 113.62 107.71 1ugo n SER 94 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1ugo n SER 94 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 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 -0.92 0.71 0.91 0.46 0.00 -1.26 -5.09 107.32 102.12 1ugo s GLY 95 Ca 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 44.72 43.61 1ugo s GLY 95 CO 0.00 -0.66 1.14 2.56 0.00 0.00 0.00 173.10 176.13 1ugo s PRO 96 N -3.65 1.17 -0.44 2.90 0.04 -1.26 -4.79 135.00 128.98 1ugo s PRO 96 Ca 0.23 0.30 0.06 0.00 0.04 0.00 0.00 61.00 61.63 1ugo s PRO 96 Cb -0.01 -1.84 0.18 0.00 0.04 0.00 0.00 34.50 32.86 1ugo s PRO 96 CO 0.12 -2.18 0.56 -1.12 0.04 0.00 0.00 177.00 174.42 1ugo s SER 97 N -4.03 -0.41 -0.17 6.66 0.01 -1.26 -5.01 113.70 109.49 1ugo s SER 97 Ca 0.64 -1.68 -0.04 0.00 1.31 0.00 0.00 55.95 56.18 1ugo s SER 97 Cb -0.15 1.24 0.08 0.00 0.21 0.00 0.00 66.02 67.40 1ugo s SER 97 CO 0.53 -0.15 0.19 -0.55 0.41 0.00 0.00 173.24 173.67 1ugo s SER 98 N 1.11 1.37 0.00 2.44 0.15 -1.26 -5.20 113.70 112.31 1ugo s SER 98 Ca 0.24 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.75 1ugo s SER 98 Cb -0.04 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1ugo s SER 98 CO -0.07 -0.31 0.09 0.61 1.20 0.00 0.00 173.24 174.75