#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 0.00 -3.61 1.61 2.88 -1.26 -5.19 113.62 108.05 1ugo n SER 2 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1ugo n SER 2 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1ugo n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ugo s SER 3 N 0.00 -0.09 0.00 -3.46 0.15 -1.26 -5.19 113.70 103.85 1ugo s SER 3 Ca 0.00 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1ugo s SER 3 Cb 0.00 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1ugo s SER 3 CO 0.00 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1ugo n GLY 4 N -0.34 -0.62 2.01 9.45 0.00 -1.26 -5.10 105.19 109.33 1ugo n GLY 4 Ca -0.05 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.33 -2.19 1.61 2.88 -1.26 -5.15 113.62 109.18 1ugo n SER 5 Ca 0.00 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1ugo n SER 5 Cb 0.00 0.54 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1ugo n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ugo n SER 6 N -3.47 -9.38 0.00 -3.46 2.88 -1.26 -5.07 113.62 93.86 1ugo n SER 6 Ca 0.00 1.55 0.00 0.00 -1.33 0.00 0.00 58.87 59.09 1ugo n SER 6 Cb 0.00 -5.26 0.00 0.00 -0.75 0.00 0.00 64.21 58.20 1ugo n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugo n GLY 7 N 1.96 4.09 1.07 0.46 0.00 -1.26 -5.10 105.19 106.41 1ugo n GLY 7 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1ugo n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ugo n MET 8 N -0.19 0.00 -3.85 1.61 2.00 -1.26 -5.13 117.12 110.30 1ugo n MET 8 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.61 1ugo n MET 8 Cb 0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 33.22 32.69 1ugo n MET 8 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 1ugo s ASP 9 N -5.91 -0.15 0.09 7.83 1.47 -1.26 -5.18 116.67 113.56 1ugo s ASP 9 Ca 0.00 -0.68 0.09 0.00 1.18 0.00 0.00 52.55 53.14 1ugo s ASP 9 Cb 0.00 0.55 -0.03 0.00 -0.34 0.00 0.00 42.92 43.10 1ugo s ASP 9 CO 0.00 -1.05 -0.24 -0.04 0.68 0.00 0.00 175.17 174.52 1ugo s MET 10 N -3.93 1.40 0.00 2.11 -1.94 -1.26 -5.04 119.30 110.65 1ugo s MET 10 Ca 0.14 -1.16 0.00 0.00 -1.71 0.00 0.00 55.69 52.96 1ugo s MET 10 Cb -0.00 -1.69 0.00 0.00 2.01 0.00 0.00 34.83 35.15 1ugo s MET 10 CO 0.01 0.41 0.00 0.41 -0.01 0.00 0.00 175.02 175.84 1ugo n GLY 11 N 1.35 1.48 2.73 -0.03 0.00 -1.26 -5.04 105.19 104.41 1ugo n GLY 11 Ca -0.18 -1.07 -0.04 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 -2.82 -4.41 1.61 3.02 -1.26 -4.85 115.26 106.55 1ugo n ASN 12 Ca 0.00 1.26 -0.45 0.00 -0.03 0.00 0.00 54.58 55.36 1ugo n ASN 12 Cb 0.00 -4.44 -0.02 0.00 -0.61 0.00 0.00 39.78 34.71 1ugo n ASN 12 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1ugo s GLN 13 N -0.66 3.71 0.37 3.52 0.74 -1.26 -5.02 119.66 121.06 1ugo s GLN 13 Ca -0.19 -2.17 -0.24 0.00 0.05 0.00 0.00 55.36 52.81 1ugo s GLN 13 Cb 0.01 -4.78 -0.14 0.00 1.10 0.00 0.00 33.01 29.21 1ugo s GLN 13 CO 0.62 -1.60 0.58 1.58 -0.55 0.00 0.00 175.29 175.91 1ugo n HIS 14 N 5.44 -0.35 0.19 1.67 -0.00 -1.26 -4.74 115.22 116.17 1ugo n HIS 14 Ca 0.23 0.67 0.07 0.00 -0.00 0.00 0.00 57.72 58.69 1ugo n HIS 14 Cb 0.47 -2.01 0.28 0.00 -0.00 0.00 0.00 29.99 28.73 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 0.97 0.00 -0.00 1.57 0.13 -1.98 -0.67 132.00 132.01 1ugo h PRO 15 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1ugo h PRO 15 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1ugo h PRO 15 CO 0.53 0.32 -0.07 0.45 -0.23 0.00 0.00 178.00 179.00 1ugo n SER 16 N -3.33 0.16 -0.08 1.44 2.88 -1.26 -2.36 113.62 111.06 1ugo n SER 16 Ca 0.01 -0.07 -0.10 0.00 -1.33 0.00 0.00 58.87 57.38 1ugo n SER 16 Cb 0.55 -0.25 -0.09 0.00 -0.75 0.00 0.00 64.21 63.67 1ugo n SER 16 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1ugo n ILE 17 N -1.29 0.98 0.14 2.46 2.08 -1.01 -4.34 119.36 118.38 1ugo n ILE 17 Ca 0.11 -0.47 -0.01 0.00 0.56 0.00 0.00 62.75 62.95 1ugo n ILE 17 Cb 0.29 -0.92 0.25 0.00 -0.75 0.00 0.00 39.64 38.51 1ugo n ILE 17 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1ugo h SER 18 N 0.00 0.10 0.68 4.38 0.87 -1.17 -2.81 113.55 115.60 1ugo h SER 18 Ca -0.38 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.10 1ugo h SER 18 Cb 1.71 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 63.65 1ugo h SER 18 CO -0.03 0.55 -0.33 -0.09 -0.53 0.00 0.00 176.83 176.41 1ugo h ARG 19 N 0.08 -0.88 -0.78 2.24 9.65 -1.69 -2.70 114.38 120.30 1ugo h ARG 19 Ca 0.00 0.06 0.13 0.00 -1.10 0.00 0.00 59.98 59.08 1ugo h ARG 19 Cb 0.86 0.20 -0.09 0.00 -1.39 0.00 0.00 29.97 29.54 1ugo h ARG 19 CO 0.06 -0.58 0.37 -0.07 2.80 0.00 0.00 179.97 182.56 1ugo h LEU 20 N -0.94 0.42 -1.80 3.80 4.07 -1.74 0.56 115.31 119.68 1ugo h LEU 20 Ca -0.09 0.09 0.17 0.00 0.08 0.00 0.00 57.88 58.13 1ugo h LEU 20 Cb 0.71 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.46 1ugo h LEU 20 CO 0.15 0.18 0.62 1.56 -1.08 0.00 0.00 178.44 179.88 1ugo h GLN 21 N 0.55 0.00 0.00 1.13 4.20 -1.22 1.64 115.11 121.42 1ugo h GLN 21 Ca 0.42 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.98 1ugo h GLN 21 Cb 0.59 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 1ugo h GLN 21 CO -0.36 0.00 -1.47 0.39 -0.67 0.00 0.00 178.83 176.72 1ugo n GLU 22 N -3.64 0.63 0.04 1.46 1.02 0.19 -3.40 120.64 116.94 1ugo n GLU 22 Ca 0.12 0.17 -0.09 0.00 -0.02 0.00 0.00 57.16 57.34 1ugo n GLU 22 Cb 0.84 -1.77 -0.13 0.00 -0.02 0.00 0.00 31.44 30.35 1ugo n GLU 22 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1ugo h ILE 23 N 0.00 1.39 0.04 -3.67 2.04 0.24 -3.25 117.51 114.30 1ugo h ILE 23 Ca -0.16 -3.13 -0.00 0.00 1.00 0.00 0.00 64.86 62.57 1ugo h ILE 23 Cb 1.53 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 40.34 1ugo h ILE 23 CO 0.04 0.82 -0.02 1.56 0.00 0.00 0.00 178.15 180.55 1ugo h GLN 24 N 0.01 -0.05 -0.20 2.37 1.08 0.16 -2.27 115.11 116.22 1ugo h GLN 24 Ca -0.12 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.14 1ugo h GLN 24 Cb 1.88 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 29.31 1ugo h GLN 24 CO 0.12 0.30 0.25 0.07 -0.95 0.00 0.00 178.83 178.62 1ugo h ARG 25 N -0.41 0.00 0.28 1.46 0.11 -1.68 0.21 114.38 114.35 1ugo h ARG 25 Ca -0.01 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 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 0.01 0.00 -0.13 0.93 0.10 0.00 0.00 179.97 180.88 1ugo h GLU 26 N 0.00 -0.36 -0.15 0.08 4.39 -1.50 0.29 114.58 117.32 1ugo h GLU 26 Ca 0.09 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.86 1ugo h GLU 26 Cb 0.59 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1ugo h GLU 26 CO -0.00 -0.24 0.15 -0.39 -1.16 0.00 0.00 179.01 177.37 1ugo h VAL 27 N -0.94 0.54 0.18 3.13 -1.51 -0.88 0.67 116.25 117.44 1ugo h VAL 27 Ca -0.04 0.00 -0.28 0.00 -1.23 0.00 0.00 66.70 65.15 1ugo h VAL 27 Cb 0.29 0.88 0.03 0.00 -2.13 0.00 0.00 31.29 30.36 1ugo h VAL 27 CO 0.06 0.00 -1.20 0.11 -1.23 0.00 0.00 177.57 175.31 1ugo h LYS 28 N 0.00 0.50 0.00 5.19 1.79 -0.62 -0.76 116.57 122.67 1ugo h LYS 28 Ca 0.07 -0.78 0.00 0.00 -2.18 0.00 0.00 60.65 57.76 1ugo h LYS 28 Cb 0.38 0.28 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1ugo h LYS 28 CO -0.00 1.36 0.00 0.00 -1.08 0.00 0.00 179.45 179.73 1ugo n ALA 29 N -2.69 1.60 0.00 3.86 0.00 0.10 -0.93 120.51 122.45 1ugo n ALA 29 Ca -0.15 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1ugo n ALA 29 Cb 0.98 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.44 0.65 -0.13 0.00 -6.64 -0.33 -4.65 119.36 106.82 1ugo n ILE 30 Ca 0.04 -0.82 -0.12 0.00 -1.77 0.00 0.00 62.75 60.08 1ugo n ILE 30 Cb 0.13 0.68 -0.02 0.00 -1.44 0.00 0.00 39.64 38.99 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 0.04 0.83 0.00 6.28 4.81 0.52 -2.36 114.58 124.70 1ugo h GLU 31 Ca 0.00 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1ugo h GLU 31 Cb 0.33 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1ugo h GLU 31 CO 0.00 0.99 0.00 -0.35 -0.73 0.00 0.00 179.01 178.92 1ugo n PRO 32 N -4.25 0.63 -0.07 0.92 -0.04 -1.26 -2.12 135.00 128.81 1ugo n PRO 32 Ca -0.01 0.02 -0.06 0.00 -0.04 0.00 0.00 63.50 63.41 1ugo n PRO 32 Cb 0.42 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.72 0.54 4.20 -1.73 -3.04 115.11 114.36 1ugo h GLN 33 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1ugo h GLN 33 Cb 0.06 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1ugo h GLN 33 CO 0.00 0.10 0.32 -0.24 -0.67 0.00 0.00 178.83 178.34 1ugo h VAL 34 N -1.00 1.24 -0.15 -0.54 3.04 -1.53 0.76 116.25 118.06 1ugo h VAL 34 Ca -0.03 -0.71 -0.00 0.00 -1.01 0.00 0.00 66.70 64.94 1ugo h VAL 34 Cb 0.55 0.34 -0.01 0.00 -2.01 0.00 0.00 31.29 30.17 1ugo h VAL 34 CO -0.02 0.29 0.08 0.58 -1.01 0.00 0.00 177.57 177.49 1ugo h VAL 35 N 1.04 1.12 -0.94 1.51 2.07 -1.62 -2.68 116.25 116.74 1ugo h VAL 35 Ca 0.25 -0.33 -0.54 0.00 0.82 0.00 0.00 66.70 66.90 1ugo h VAL 35 Cb 0.15 1.05 -0.29 0.00 -1.52 0.00 0.00 31.29 30.69 1ugo h VAL 35 CO -0.03 0.11 0.62 0.61 0.02 0.00 0.00 177.57 178.90 1ugo n GLY 36 N -0.85 5.01 3.85 2.17 0.00 -0.95 -4.98 105.19 109.44 1ugo n GLY 36 Ca -0.04 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.47 3.42 -0.28 1.61 5.36 0.26 -4.90 117.98 119.99 1ugo s PHE 37 Ca 0.58 1.25 -0.01 0.00 -0.96 0.00 0.00 56.93 57.79 1ugo s PHE 37 Cb 0.48 -2.59 0.13 0.00 -0.34 0.00 0.00 43.02 40.70 1ugo s PHE 37 CO 0.06 -0.11 0.30 -1.12 -1.46 0.00 0.00 175.22 172.89 1ugo s SER 38 N -2.78 1.51 0.00 6.13 0.01 -1.26 -4.68 113.70 112.62 1ugo s SER 38 Ca 0.55 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1ugo s SER 38 Cb -0.10 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1ugo s SER 38 CO 0.25 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1ugo n GLY 39 N 5.32 2.10 3.22 3.44 0.00 -1.19 -5.01 105.19 113.07 1ugo n GLY 39 Ca -0.02 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 1ugo n GLY 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ugo n LEU 40 N 0.00 0.00 -4.58 0.99 4.77 -1.26 -3.79 117.00 113.13 1ugo n LEU 40 Ca 0.00 -2.90 -0.42 0.00 -0.03 0.00 0.00 56.01 52.66 1ugo n LEU 40 Cb 0.00 0.61 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 1ugo n LEU 40 CO 0.00 -0.43 0.46 -0.94 -1.33 0.00 0.00 177.39 175.15 1ugo s SER 41 N -3.45 6.49 -0.38 -1.43 1.04 -1.26 -4.45 113.70 110.26 1ugo s SER 41 Ca 0.09 0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.68 1ugo s SER 41 Cb 0.00 -2.35 0.01 0.00 0.10 0.00 0.00 66.02 63.78 1ugo s SER 41 CO 0.06 -0.62 0.40 0.47 0.98 0.00 0.00 173.24 174.53 1ugo n ASP 42 N 6.15 -7.90 0.00 7.02 9.92 -1.26 -5.02 116.55 125.45 1ugo n ASP 42 Ca 0.00 0.82 0.00 0.00 -0.53 0.00 0.00 54.79 55.08 1ugo n ASP 42 Cb 0.48 -5.32 0.00 0.00 -0.64 0.00 0.00 41.12 35.64 1ugo n ASP 42 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1ugo n ASP 43 N 0.02 0.00 0.00 -2.24 8.00 -1.26 -4.92 116.55 116.15 1ugo n ASP 43 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1ugo n ASP 43 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 1ugo n ASP 43 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1ugo n LYS 44 N -1.21 0.00 -0.03 -1.24 4.81 -1.26 -1.54 118.16 117.69 1ugo n LYS 44 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 1ugo n LYS 44 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 1ugo n LYS 44 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1ugo n ASN 45 N 9.05 3.46 -0.28 3.14 2.85 -1.26 -4.65 115.26 127.57 1ugo n ASN 45 Ca 0.00 -0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.60 1ugo n ASN 45 Cb 0.00 0.60 0.26 0.00 1.24 0.00 0.00 39.78 41.88 1ugo n ASN 45 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ugo n TYR 46 N -2.27 0.55 -0.32 1.20 4.19 -0.59 0.17 117.16 120.10 1ugo n TYR 46 Ca -0.10 0.99 0.04 0.00 3.31 0.00 0.00 57.90 62.14 1ugo n TYR 46 Cb 0.70 -1.14 0.12 0.00 0.49 0.00 0.00 39.34 39.51 1ugo n TYR 46 CO 0.00 0.00 0.00 0.87 0.91 0.00 0.00 176.86 178.64 1ugo h LYS 47 N 0.00 0.00 0.70 2.98 1.79 -1.83 0.42 116.57 120.63 1ugo h LYS 47 Ca 0.51 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.95 1ugo h LYS 47 Cb 1.08 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.74 1ugo h LYS 47 CO -0.77 0.00 -0.34 -0.09 -1.08 0.00 0.00 179.45 177.18 1ugo h ARG 48 N 0.00 -0.90 -0.73 3.15 2.43 0.13 0.26 114.38 118.72 1ugo h ARG 48 Ca 0.43 0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.77 1ugo h ARG 48 Cb 0.66 0.21 -0.12 0.00 -0.42 0.00 0.00 29.97 30.30 1ugo h ARG 48 CO -0.91 -0.58 -0.43 -0.07 -1.51 0.00 0.00 179.97 176.47 1ugo h LEU 49 N -1.04 -1.53 0.14 3.80 3.38 -0.61 0.29 115.31 119.74 1ugo h LEU 49 Ca -0.10 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1ugo h LEU 49 Cb 0.74 0.72 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 1ugo h LEU 49 CO 0.16 -0.31 -0.15 -0.08 0.09 0.00 0.00 178.44 178.15 1ugo h GLU 50 N -0.14 -0.31 -0.84 1.13 4.81 -0.20 -2.23 114.58 116.79 1ugo h GLU 50 Ca 0.22 0.02 0.21 0.00 -0.13 0.00 0.00 59.36 59.69 1ugo h GLU 50 Cb 0.55 0.07 -0.14 0.00 0.63 0.00 0.00 28.75 29.86 1ugo h GLU 50 CO -0.79 -0.21 0.09 0.00 -0.73 0.00 0.00 179.01 177.38 1ugo h ARG 51 N -0.32 0.12 0.36 1.92 3.08 0.19 1.19 114.38 120.92 1ugo h ARG 51 Ca 0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1ugo h ARG 51 Cb 0.31 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1ugo h ARG 51 CO -0.04 0.08 -0.27 0.82 -1.07 0.00 0.00 179.97 179.48 1ugo h ILE 52 N 0.13 0.00 -0.02 2.04 2.04 0.02 0.84 117.51 122.56 1ugo h ILE 52 Ca 0.50 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.39 1ugo h ILE 52 Cb 0.96 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 1ugo h ILE 52 CO -0.71 0.00 -0.40 -0.07 0.00 0.00 0.00 178.15 176.98 1ugo h LEU 53 N -0.61 -1.20 -0.87 1.44 3.38 -0.64 0.72 115.31 117.53 1ugo h LEU 53 Ca -0.05 0.15 0.20 0.00 0.09 0.00 0.00 57.88 58.27 1ugo h LEU 53 Cb 0.50 0.48 -0.12 0.00 0.09 0.00 0.00 40.66 41.61 1ugo h LEU 53 CO 0.02 -0.44 0.38 0.00 0.09 0.00 0.00 178.44 178.49 1ugo h THR 54 N -0.54 0.53 -0.01 0.22 1.03 0.15 1.40 112.91 115.69 1ugo h THR 54 Ca 0.05 -0.15 -0.00 0.00 -0.01 0.00 0.00 66.41 66.31 1ugo h THR 54 Cb 0.63 0.06 -0.00 0.00 -1.07 0.00 0.00 68.15 67.77 1ugo h THR 54 CO -0.32 0.08 0.00 0.11 -0.01 0.00 0.00 175.52 175.38 1ugo h LYS 55 N 0.43 0.01 -0.41 0.00 1.57 0.24 0.26 116.57 118.68 1ugo h LYS 55 Ca 0.52 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.31 1ugo h LYS 55 Cb 0.94 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1ugo h LYS 55 CO -0.49 0.30 0.25 1.96 -0.57 0.00 0.00 179.45 180.90 1ugo h GLN 56 N -0.28 0.50 0.64 3.15 1.08 0.26 -2.00 115.11 118.46 1ugo h GLN 56 Ca 0.00 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1ugo h GLN 56 Cb 0.30 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 1ugo h GLN 56 CO 0.00 0.33 -0.44 1.25 -0.95 0.00 0.00 178.83 179.02 1ugo h LEU 57 N 0.52 -1.13 -1.85 1.46 7.12 0.19 -0.90 115.31 120.71 1ugo h LEU 57 Ca 0.16 0.07 0.32 0.00 0.13 0.00 0.00 57.88 58.56 1ugo h LEU 57 Cb -0.02 0.34 -0.04 0.00 -0.53 0.00 0.00 40.66 40.41 1ugo h LEU 57 CO -0.06 -0.65 0.90 0.15 -0.13 0.00 0.00 178.44 178.65 1ugo h PHE 58 N -1.03 0.00 0.01 1.25 3.57 -0.76 1.63 116.94 121.62 1ugo h PHE 58 Ca -0.08 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.22 1ugo h PHE 58 Cb 0.85 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 1ugo h PHE 58 CO -0.14 0.00 -0.91 0.93 -2.23 0.00 0.00 178.31 175.96 1ugo h GLU 59 N 0.00 0.17 -0.48 1.11 4.39 -0.44 -2.27 114.58 117.06 1ugo h GLU 59 Ca 0.52 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1ugo h GLU 59 Cb 2.31 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 31.00 1ugo h GLU 59 CO -0.01 0.97 0.31 0.82 -1.16 0.00 0.00 179.01 179.94 1ugo h ILE 60 N 0.09 1.13 -0.14 3.13 2.04 0.34 0.20 117.51 124.31 1ugo h ILE 60 Ca -0.05 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.41 1ugo h ILE 60 Cb 1.56 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1ugo h ILE 60 CO 0.14 0.13 -0.49 -0.78 0.00 0.00 0.00 178.15 177.15 1ugo h ASP 61 N 0.65 0.40 0.81 1.72 1.82 -1.47 -3.24 116.42 117.10 1ugo h ASP 61 Ca 0.17 -0.19 -0.04 0.00 -0.39 0.00 0.00 57.03 56.59 1ugo h ASP 61 Cb -0.05 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 39.85 1ugo h ASP 61 CO -0.04 0.82 -0.44 0.28 -1.61 0.00 0.00 179.24 178.26 1ugo h SER 62 N 0.29 -1.07 -0.36 2.28 0.02 -0.73 -3.41 113.55 110.58 1ugo h SER 62 Ca 0.01 0.05 -0.69 0.00 -0.84 0.00 0.00 61.79 60.32 1ugo h SER 62 Cb 0.96 0.29 -0.04 0.00 0.14 0.00 0.00 62.40 63.76 1ugo h SER 62 CO 0.08 -0.70 1.42 0.52 -1.14 0.00 0.00 176.83 177.01 1ugo n VAL 63 N -5.22 0.05 -0.69 2.27 0.31 -0.02 -4.84 118.33 110.19 1ugo n VAL 63 Ca -0.14 -0.10 -0.31 0.00 -0.01 0.00 0.00 64.34 63.78 1ugo n VAL 63 Cb 0.46 -0.90 0.17 0.00 -0.91 0.00 0.00 33.84 32.66 1ugo n VAL 63 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ugo n ASP 64 N 8.86 0.32 -0.02 4.52 2.03 -1.26 -4.97 116.55 126.02 1ugo n ASP 64 Ca 0.52 0.42 -0.03 0.00 0.52 0.00 0.00 54.79 56.23 1ugo n ASP 64 Cb 0.06 -1.48 -0.03 0.00 -0.72 0.00 0.00 41.12 38.96 1ugo n ASP 64 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1ugo n THR 65 N -4.22 0.30 -1.43 5.18 -2.24 -1.26 -4.86 114.28 105.75 1ugo n THR 65 Ca 0.12 -0.15 -0.12 0.00 -2.27 0.00 0.00 64.05 61.63 1ugo n THR 65 Cb 0.52 -0.81 -0.05 0.00 -2.10 0.00 0.00 70.33 67.89 1ugo n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ugo n GLU 66 N -2.35 -0.84 -2.94 -0.78 1.02 -1.26 -3.10 120.64 110.39 1ugo n GLU 66 Ca -0.08 0.89 -0.12 0.00 -0.02 0.00 0.00 57.16 57.83 1ugo n GLU 66 Cb 0.62 -4.91 0.06 0.00 -0.02 0.00 0.00 31.44 27.19 1ugo n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ugo n GLY 67 N -1.47 -0.54 2.72 0.62 0.00 -1.26 -5.02 105.19 100.24 1ugo n GLY 67 Ca -0.12 0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1ugo n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ugo s LYS 68 N -4.39 0.69 0.13 1.61 1.02 -1.18 -5.03 119.74 112.59 1ugo s LYS 68 Ca 0.24 -0.91 -0.24 0.00 0.02 0.00 0.00 55.97 55.08 1ugo s LYS 68 Cb -0.03 -1.96 -0.05 0.00 -0.52 0.00 0.00 37.83 35.26 1ugo s LYS 68 CO 0.57 -0.92 1.37 0.41 -0.92 0.00 0.00 175.35 175.87 1ugo n GLY 69 N 4.91 -2.56 0.44 -3.33 0.00 -1.26 0.21 105.19 103.60 1ugo n GLY 69 Ca -0.04 1.03 0.37 0.00 0.00 0.00 0.00 46.02 47.38 1ugo n GLY 69 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ugo n ASP 70 N -4.80 0.16 -0.08 1.61 8.00 -1.26 0.18 116.55 120.37 1ugo n ASP 70 Ca 0.02 1.18 -0.06 0.00 0.71 0.00 0.00 54.79 56.64 1ugo n ASP 70 Cb 0.20 -0.58 -0.02 0.00 -0.02 0.00 0.00 41.12 40.70 1ugo n ASP 70 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1ugo n ILE 71 N -4.38 1.44 -0.33 0.53 5.41 0.55 -3.97 119.36 118.61 1ugo n ILE 71 Ca 0.36 0.19 0.19 0.00 1.00 0.00 0.00 62.75 64.49 1ugo n ILE 71 Cb 1.42 -2.37 0.38 0.00 -0.71 0.00 0.00 39.64 38.36 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 0.06 0.14 0.38 -0.00 0.47 0.32 115.11 115.48 1ugo h GLN 72 Ca -0.01 -0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.65 1ugo h GLN 72 Cb 0.65 -0.01 -0.04 0.00 0.00 0.00 0.00 27.48 28.07 1ugo h GLN 72 CO -0.01 0.04 -0.41 0.37 0.00 0.00 0.00 178.83 178.83 1ugo h GLN 73 N 0.06 -0.63 -0.44 1.69 4.15 0.17 -2.55 115.11 117.56 1ugo h GLN 73 Ca 0.66 0.04 0.04 0.00 0.77 0.00 0.00 58.65 60.16 1ugo h GLN 73 Cb 1.49 0.14 -0.05 0.00 0.21 0.00 0.00 27.48 29.27 1ugo h GLN 73 CO -0.81 -0.42 -0.26 0.00 -1.93 0.00 0.00 178.83 175.40 1ugo h ALA 74 N -0.17 -0.26 -0.02 3.38 0.00 -0.49 0.83 119.26 122.53 1ugo h ALA 74 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ugo h ALA 74 Cb 0.67 1.16 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1ugo h ALA 74 CO -0.22 -0.44 0.00 -2.13 0.00 0.00 0.00 179.25 176.45 1ugo n ARG 75 N -4.01 0.00 -0.41 0.00 0.63 -1.07 0.19 116.66 112.00 1ugo n ARG 75 Ca 0.01 0.87 -0.09 0.00 -0.92 0.00 0.00 57.85 57.72 1ugo n ARG 75 Cb 0.12 -1.31 -0.07 0.00 0.45 0.00 0.00 32.46 31.65 1ugo n ARG 75 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1ugo n LYS 76 N -2.86 -0.39 -0.24 -0.14 4.81 -0.66 0.17 118.16 118.85 1ugo n LYS 76 Ca 0.00 1.49 0.03 0.00 -0.87 0.00 0.00 58.31 58.96 1ugo n LYS 76 Cb 0.00 -2.20 0.15 0.00 0.02 0.00 0.00 35.03 33.01 1ugo n LYS 76 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ugo h ARG 77 N 0.00 0.50 -0.07 1.64 2.47 0.17 0.68 114.38 119.77 1ugo h ARG 77 Ca 0.19 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.88 1ugo h ARG 77 Cb 0.44 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1ugo h ARG 77 CO -0.93 0.33 0.04 0.00 0.56 0.00 0.00 179.97 179.96 1ugo h ALA 78 N 1.47 0.09 0.52 0.04 0.00 1.01 -0.42 119.26 121.97 1ugo h ALA 78 Ca 0.37 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1ugo h ALA 78 Cb 0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ugo h ALA 78 CO -0.33 -0.38 -0.33 0.00 0.00 0.00 0.00 179.25 178.21 1ugo h ALA 79 N 0.95 -0.82 -0.46 0.00 0.00 0.30 0.42 119.26 119.65 1ugo h ALA 79 Ca 0.02 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.91 1ugo h ALA 79 Cb 0.07 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1ugo h ALA 79 CO -0.00 -0.98 0.51 1.96 0.00 0.00 0.00 179.25 180.74 1ugo h GLN 80 N -0.81 0.00 0.00 0.00 4.20 0.43 1.54 115.11 120.47 1ugo h GLN 80 Ca -0.06 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1ugo h GLN 80 Cb 0.67 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 1ugo h GLN 80 CO 0.05 0.00 -0.13 1.49 -0.67 0.00 0.00 178.83 179.57 1ugo h GLU 81 N 0.00 0.00 -0.51 1.46 4.81 0.45 -2.65 114.58 118.14 1ugo h GLU 81 Ca 0.22 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 1ugo h GLU 81 Cb 1.24 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 1ugo h GLU 81 CO -0.00 0.74 0.06 1.15 -0.73 0.00 0.00 179.01 180.23 1ugo h THR 82 N -1.00 1.25 0.00 0.32 2.02 0.14 -1.90 112.91 113.74 1ugo h THR 82 Ca -0.03 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1ugo h THR 82 Cb 0.78 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1ugo h THR 82 CO -0.02 0.35 0.00 -0.33 0.37 0.00 0.00 175.52 175.89 1ugo h GLU 83 N 0.73 0.00 -0.02 6.66 4.39 0.20 -1.74 114.58 124.80 1ugo h GLU 83 Ca 0.15 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.82 1ugo h GLU 83 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1ugo h GLU 83 CO 0.01 0.00 -0.11 0.00 -1.16 0.00 0.00 179.01 177.75 1ugo h ARG 84 N 0.00 0.11 0.09 2.33 3.08 -0.97 -3.12 114.38 115.90 1ugo h ARG 84 Ca 0.00 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1ugo h ARG 84 Cb 0.39 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1ugo h ARG 84 CO 0.00 0.77 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.56 1ugo h LEU 85 N -0.53 -0.10 -1.15 3.04 3.38 -1.26 -2.80 115.31 115.89 1ugo h LEU 85 Ca -0.01 -0.30 0.44 0.00 0.09 0.00 0.00 57.88 58.10 1ugo h LEU 85 Cb 0.80 0.03 -0.16 0.00 0.09 0.00 0.00 40.66 41.41 1ugo h LEU 85 CO 0.02 0.26 0.67 0.25 0.09 0.00 0.00 178.44 179.73 1ugo h LEU 86 N -0.48 0.28 0.30 1.67 6.46 -1.43 1.33 115.31 123.44 1ugo h LEU 86 Ca -0.01 0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 1ugo h LEU 86 Cb 0.40 0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 1ugo h LEU 86 CO 0.02 -0.37 -0.14 0.11 -0.62 0.00 0.00 178.44 177.44 1ugo h LYS 87 N 0.01 -0.39 -0.18 1.25 1.79 -1.43 -2.37 116.57 115.26 1ugo h LYS 87 Ca 0.86 0.03 0.05 0.00 -2.18 0.00 0.00 60.65 59.41 1ugo h LYS 87 Cb 2.47 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 33.20 1ugo h LYS 87 CO -0.65 -0.14 0.16 0.93 -1.08 0.00 0.00 179.45 178.67 1ugo h GLU 88 N -0.59 0.00 -0.06 3.15 4.39 0.17 -1.46 114.58 120.18 1ugo h GLU 88 Ca -0.04 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.69 1ugo h GLU 88 Cb 0.43 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 1ugo h GLU 88 CO 0.07 0.00 -0.12 1.25 -1.16 0.00 0.00 179.01 179.05 1ugo h LEU 89 N 0.00 -0.36 0.44 1.33 5.85 0.02 0.85 115.31 123.45 1ugo h LEU 89 Ca 0.09 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1ugo h LEU 89 Cb 0.41 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1ugo h LEU 89 CO -0.00 -0.17 -0.30 -0.33 -0.34 0.00 0.00 178.44 177.30 1ugo h GLU 90 N -0.17 -0.69 0.21 1.25 5.08 -1.17 0.25 114.58 119.34 1ugo h GLU 90 Ca 0.06 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1ugo h GLU 90 Cb 0.26 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1ugo h GLU 90 CO -0.16 -0.46 -0.19 1.96 -1.00 0.00 0.00 179.01 179.15 1ugo h GLN 91 N -0.72 -0.38 -1.00 2.33 4.20 -1.30 -2.23 115.11 116.02 1ugo h GLN 91 Ca -0.05 0.03 0.34 0.00 0.06 0.00 0.00 58.65 59.03 1ugo h GLN 91 Cb 0.60 0.09 -0.18 0.00 0.30 0.00 0.00 27.48 28.29 1ugo h GLN 91 CO 0.03 -0.25 0.26 -0.91 -0.67 0.00 0.00 178.83 177.29 1ugo h ASN 92 N -0.40 -0.11 0.00 1.46 2.35 0.72 -1.22 115.58 118.38 1ugo h ASN 92 Ca -0.03 0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1ugo h ASN 92 Cb 0.34 0.39 0.00 0.00 0.05 0.00 0.00 38.32 39.09 1ugo h ASN 92 CO -0.01 -0.39 0.00 0.00 -1.65 0.00 0.00 177.43 175.38 1ugo n ALA 93 N -2.74 -0.01 0.01 -0.83 0.00 0.07 -4.53 120.51 112.48 1ugo n ALA 93 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1ugo n ALA 93 Cb 1.00 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.76 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 -1.62 -0.16 -4.48 0.00 2.88 -0.46 -3.18 113.62 106.59 1ugo n SER 94 Ca 0.00 0.09 -0.31 0.00 -1.33 0.00 0.00 58.87 57.32 1ugo n SER 94 Cb 0.00 0.31 0.18 0.00 -0.75 0.00 0.00 64.21 63.95 1ugo n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugo n GLY 95 N -1.12 -1.63 3.49 0.46 0.00 -1.26 -4.97 105.19 100.16 1ugo n GLY 95 Ca 0.00 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 44.88 1ugo n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ugo n PRO 96 N -3.38 -2.11 -0.06 1.61 -0.04 -1.26 -4.25 135.00 125.51 1ugo n PRO 96 Ca 0.06 -1.81 -0.04 0.00 -0.04 0.00 0.00 63.50 61.68 1ugo n PRO 96 Cb 0.55 -1.42 -0.02 0.00 -0.04 0.00 0.00 33.50 32.57 1ugo n PRO 96 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1ugo h SER 97 N -2.13 0.00 0.00 3.54 0.87 -1.94 -3.42 113.55 110.47 1ugo h SER 97 Ca -0.40 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1ugo h SER 97 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1ugo h SER 97 CO 0.27 0.68 -0.01 -1.20 -0.53 0.00 0.00 176.83 176.05 1ugo n SER 98 N -4.68 -0.10 0.00 6.23 7.64 -1.26 -5.03 113.62 116.41 1ugo n SER 98 Ca -0.05 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1ugo n SER 98 Cb 0.17 0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1ugo n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64