#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 -6.69 -3.57 1.61 2.88 -1.26 -5.02 113.62 101.58 1ugo n SER 2 Ca 0.00 0.32 -0.09 0.00 -1.33 0.00 0.00 58.87 57.78 1ugo n SER 2 Cb 0.00 -3.15 -0.04 0.00 -0.75 0.00 0.00 64.21 60.27 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 -1.74 -0.32 0.00 -3.46 0.15 -1.26 -5.06 113.70 102.01 1ugo s SER 3 Ca 0.24 0.23 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1ugo s SER 3 Cb -0.04 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1ugo s SER 3 CO 0.69 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 175.36 1ugo n GLY 4 N 0.38 2.00 2.58 9.45 0.00 -1.26 -4.92 105.19 113.42 1ugo n GLY 4 Ca -0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 5.68 -3.96 -3.62 1.61 2.88 -1.26 -5.08 113.62 109.87 1ugo n SER 5 Ca 0.00 1.31 -0.04 0.00 -1.33 0.00 0.00 58.87 58.80 1ugo n SER 5 Cb 0.00 -5.04 -0.03 0.00 -0.75 0.00 0.00 64.21 58.38 1ugo n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ugo s SER 6 N -1.07 -0.13 0.21 -3.46 1.04 -1.26 -5.19 113.70 103.84 1ugo s SER 6 Ca -0.14 0.09 -0.20 0.00 0.48 0.00 0.00 55.95 56.18 1ugo s SER 6 Cb 0.01 0.12 0.04 0.00 0.10 0.00 0.00 66.02 66.28 1ugo s SER 6 CO 0.74 -0.15 0.61 -0.83 0.98 0.00 0.00 173.24 174.59 1ugo s GLY 7 N -1.48 -0.27 -0.30 7.32 0.00 -1.26 -5.08 107.32 106.26 1ugo s GLY 7 Ca 0.07 -0.01 -0.18 0.00 0.00 0.00 0.00 44.72 44.60 1ugo s GLY 7 CO -0.05 -0.06 1.26 -0.29 0.00 0.00 0.00 173.10 173.96 1ugo s MET 8 N -3.85 0.10 -0.16 2.90 1.75 -1.26 -5.18 119.30 113.61 1ugo s MET 8 Ca 0.07 0.16 -0.29 0.00 -1.25 0.00 0.00 55.69 54.38 1ugo s MET 8 Cb -0.03 0.03 0.10 0.00 2.84 0.00 0.00 34.83 37.78 1ugo s MET 8 CO -0.03 -0.02 0.88 0.34 -0.65 0.00 0.00 175.02 175.54 1ugo s ASP 9 N 0.82 -0.51 0.02 1.11 2.15 -1.26 -5.18 116.67 113.82 1ugo s ASP 9 Ca -0.04 0.68 0.00 0.00 0.43 0.00 0.00 52.55 53.62 1ugo s ASP 9 Cb -0.03 0.58 -0.02 0.00 -0.30 0.00 0.00 42.92 43.15 1ugo s ASP 9 CO -0.12 -0.39 -0.03 0.00 -0.17 0.00 0.00 175.17 174.47 1ugo s MET 10 N -0.77 0.32 0.00 4.34 0.23 -1.26 -5.05 119.30 117.11 1ugo s MET 10 Ca -0.04 -0.62 0.00 0.00 -1.03 0.00 0.00 55.69 54.00 1ugo s MET 10 Cb -0.01 0.10 0.00 0.00 -1.53 0.00 0.00 34.83 33.38 1ugo s MET 10 CO 0.03 -0.05 0.00 0.41 -2.03 0.00 0.00 175.02 173.38 1ugo n GLY 11 N 1.57 0.67 3.74 3.16 0.00 -1.26 -4.99 105.19 108.08 1ugo n GLY 11 Ca -0.24 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.23 1ugo n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ugo s ASN 12 N -4.00 7.18 -0.49 1.61 4.22 -1.26 -5.01 114.94 117.19 1ugo s ASN 12 Ca 0.00 1.42 -0.25 0.00 -2.14 0.00 0.00 52.86 51.89 1ugo s ASN 12 Cb 0.00 -2.47 0.03 0.00 1.28 0.00 0.00 41.25 40.10 1ugo s ASN 12 CO 0.00 -0.03 0.94 -1.58 -2.04 0.00 0.00 177.10 174.39 1ugo s GLN 13 N 0.19 3.47 0.30 3.55 0.74 -1.26 -4.99 119.66 121.64 1ugo s GLN 13 Ca 0.39 0.03 -0.26 0.00 0.05 0.00 0.00 55.36 55.57 1ugo s GLN 13 Cb -0.20 -3.97 -0.15 0.00 1.10 0.00 0.00 33.01 29.79 1ugo s GLN 13 CO 0.22 -1.33 0.68 1.58 -0.55 0.00 0.00 175.29 175.90 1ugo n HIS 14 N 7.32 0.06 0.48 1.67 -0.00 -1.26 -4.82 115.22 118.67 1ugo n HIS 14 Ca 0.05 0.77 0.13 0.00 -0.00 0.00 0.00 57.72 58.67 1ugo n HIS 14 Cb 0.48 -2.06 0.45 0.00 -0.00 0.00 0.00 29.99 28.86 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 1.27 0.00 0.05 1.57 0.13 -2.00 -2.35 132.00 130.67 1ugo h PRO 15 Ca -0.36 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.44 1ugo h PRO 15 Cb 1.39 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.49 1ugo h PRO 15 CO 0.56 0.00 -1.93 0.43 -0.23 0.00 0.00 178.00 176.83 1ugo n SER 16 N -2.37 1.40 0.17 1.44 7.64 -1.26 -3.62 113.62 117.02 1ugo n SER 16 Ca 0.04 0.26 -0.13 0.00 1.01 0.00 0.00 58.87 60.05 1ugo n SER 16 Cb 0.34 -0.34 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 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 0.03 0.61 -0.81 0.44 1.08 -1.89 -2.57 117.51 114.40 1ugo h ILE 17 Ca -0.38 -0.61 0.19 0.00 -0.39 0.00 0.00 64.86 63.66 1ugo h ILE 17 Cb 2.03 0.89 -0.12 0.00 -3.07 0.00 0.00 36.82 36.55 1ugo h ILE 17 CO 0.07 0.11 0.26 -1.28 -0.69 0.00 0.00 178.15 176.61 1ugo h SER 18 N -0.83 0.12 0.33 1.72 0.87 -1.62 -0.03 113.55 114.12 1ugo h SER 18 Ca -0.05 0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1ugo h SER 18 Cb 0.52 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.63 1ugo h SER 18 CO 0.08 -0.03 -0.48 -0.09 -0.53 0.00 0.00 176.83 175.77 1ugo h ARG 19 N 0.32 -0.83 -0.66 2.24 9.65 -1.60 0.20 114.38 123.69 1ugo h ARG 19 Ca 0.48 0.06 0.14 0.00 -1.10 0.00 0.00 59.98 59.55 1ugo h ARG 19 Cb 0.85 0.19 -0.10 0.00 -1.39 0.00 0.00 29.97 29.52 1ugo h ARG 19 CO -0.53 -0.55 0.09 -0.07 2.80 0.00 0.00 179.97 181.70 1ugo h LEU 20 N -0.86 -0.12 -2.51 3.80 3.38 -0.78 1.44 115.31 119.65 1ugo h LEU 20 Ca -0.03 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ugo h LEU 20 Cb 0.80 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1ugo h LEU 20 CO -0.15 -0.07 -0.02 1.56 0.09 0.00 0.00 178.44 179.86 1ugo h GLN 21 N 0.20 0.00 0.00 1.13 4.20 -0.27 0.76 115.11 121.13 1ugo h GLN 21 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 1ugo h GLN 21 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1ugo h GLN 21 CO -0.50 0.02 -1.24 -1.91 -0.67 0.00 0.00 178.83 174.52 1ugo n GLU 22 N -3.30 0.41 -0.02 1.46 2.13 0.42 -3.61 120.64 118.13 1ugo n GLU 22 Ca -0.02 -0.03 -0.19 0.00 0.66 0.00 0.00 57.16 57.59 1ugo n GLU 22 Cb 0.13 -1.61 -0.14 0.00 0.27 0.00 0.00 31.44 30.09 1ugo n GLU 22 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1ugo n ILE 23 N -2.13 1.71 -0.08 6.31 5.41 0.29 -3.75 119.36 127.13 1ugo n ILE 23 Ca 0.00 -0.68 -0.10 0.00 1.00 0.00 0.00 62.75 62.98 1ugo n ILE 23 Cb 0.48 -1.55 -0.03 0.00 -0.71 0.00 0.00 39.64 37.84 1ugo n ILE 23 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1ugo h GLN 24 N 0.05 0.38 -0.13 0.38 4.20 0.25 -1.76 115.11 118.48 1ugo h GLN 24 Ca -0.42 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.27 1ugo h GLN 24 Cb 2.02 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.73 1ugo h GLN 24 CO 0.07 0.37 0.10 0.07 -0.67 0.00 0.00 178.83 178.76 1ugo h ARG 25 N 0.30 0.00 0.56 1.46 0.11 -1.74 0.42 114.38 115.49 1ugo h ARG 25 Ca 0.09 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.14 1ugo h ARG 25 Cb 0.11 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.20 1ugo h ARG 25 CO -0.01 0.00 -0.27 0.93 0.10 0.00 0.00 179.97 180.72 1ugo h GLU 26 N 0.00 -0.72 -0.21 0.08 4.39 -1.44 0.57 114.58 117.24 1ugo h GLU 26 Ca 0.06 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1ugo h GLU 26 Cb 0.26 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1ugo h GLU 26 CO -0.00 -0.48 0.14 -0.39 -1.16 0.00 0.00 179.01 177.12 1ugo h VAL 27 N -1.20 1.05 -0.16 3.13 -1.51 -1.01 0.20 116.25 116.75 1ugo h VAL 27 Ca -0.08 -0.10 -0.13 0.00 -1.23 0.00 0.00 66.70 65.17 1ugo h VAL 27 Cb 0.58 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1ugo h VAL 27 CO 0.13 0.05 -0.40 0.50 -1.23 0.00 0.00 177.57 176.62 1ugo h LYS 28 N 0.28 0.56 0.00 5.19 1.63 -0.13 0.85 116.57 124.95 1ugo h LYS 28 Ca 0.08 -0.38 -0.01 0.00 -0.85 0.00 0.00 60.65 59.49 1ugo h LYS 28 Cb -0.02 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1ugo h LYS 28 CO -0.02 1.00 -0.04 0.00 -3.45 0.00 0.00 179.45 176.95 1ugo h ALA 29 N 0.56 1.03 -0.26 5.00 0.00 0.13 -1.04 119.26 124.68 1ugo h ALA 29 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ugo h ALA 29 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ugo h ALA 29 CO 0.09 0.04 0.00 0.44 0.00 0.00 0.00 179.25 179.82 1ugo n ILE 30 N -3.18 0.62 -0.25 0.00 -6.64 0.58 -4.49 119.36 106.01 1ugo n ILE 30 Ca -0.00 -0.81 -0.07 0.00 -1.77 0.00 0.00 62.75 60.09 1ugo n ILE 30 Cb 0.26 0.79 0.04 0.00 -1.44 0.00 0.00 39.64 39.30 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 2.45 1.10 -0.00 6.28 4.81 0.21 -2.67 114.58 126.76 1ugo h GLU 31 Ca 0.00 -0.26 -0.16 0.00 -0.13 0.00 0.00 59.36 58.81 1ugo h GLU 31 Cb 0.69 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1ugo h GLU 31 CO 0.00 0.97 -0.76 -1.00 -0.73 0.00 0.00 179.01 177.49 1ugo h PRO 32 N 1.04 0.03 0.00 0.92 0.13 -1.79 -2.27 132.00 130.06 1ugo h PRO 32 Ca 0.22 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1ugo h PRO 32 Cb 0.35 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.49 1ugo h PRO 32 CO 0.00 0.77 -0.02 1.96 -0.23 0.00 0.00 178.00 180.48 1ugo h GLN 33 N 0.02 0.00 0.01 0.86 4.20 -1.73 1.09 115.11 119.55 1ugo h GLN 33 Ca -0.01 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.38 1ugo h GLN 33 Cb 1.34 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.07 1ugo h GLN 33 CO 0.10 0.02 -1.74 0.28 -0.67 0.00 0.00 178.83 176.82 1ugo n VAL 34 N -3.29 1.55 -0.25 -0.54 0.31 -1.10 -2.88 118.33 112.14 1ugo n VAL 34 Ca -0.02 -0.20 -0.04 0.00 -0.01 0.00 0.00 64.34 64.07 1ugo n VAL 34 Cb 0.14 -1.95 0.13 0.00 -0.91 0.00 0.00 33.84 31.25 1ugo n VAL 34 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ugo h VAL 35 N -0.89 1.24 -0.47 2.52 2.07 -1.12 -1.26 116.25 118.34 1ugo h VAL 35 Ca -0.47 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1ugo h VAL 35 Cb 1.47 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1ugo h VAL 35 CO -0.25 0.30 0.00 0.61 0.02 0.00 0.00 177.57 178.25 1ugo n GLY 36 N -1.00 2.58 3.58 2.17 0.00 0.37 -4.96 105.19 107.94 1ugo n GLY 36 Ca 0.07 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.28 1.06 0.00 1.61 5.36 -0.48 -4.93 117.98 118.32 1ugo s PHE 37 Ca 0.43 0.75 0.00 0.00 -0.96 0.00 0.00 56.93 57.14 1ugo s PHE 37 Cb 0.32 -3.29 0.00 0.00 -0.34 0.00 0.00 43.02 39.70 1ugo s PHE 37 CO 0.14 -3.66 0.00 0.43 -1.46 0.00 0.00 175.22 170.67 1ugo n SER 38 N -4.67 0.00 0.00 6.13 7.64 -1.26 -4.97 113.62 116.49 1ugo n SER 38 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1ugo n SER 38 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1ugo n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugo n GLY 39 N 0.00 0.63 3.38 0.23 0.00 -1.20 -4.83 105.19 103.40 1ugo n GLY 39 Ca 0.00 -1.00 -0.30 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 -0.60 -0.32 0.99 2.01 -1.26 -3.43 118.68 116.07 1ugo s LEU 40 Ca 0.00 0.79 0.02 0.00 0.01 0.00 0.00 54.13 54.95 1ugo s LEU 40 Cb 0.00 -2.30 0.40 0.00 0.01 0.00 0.00 46.19 44.30 1ugo s LEU 40 CO 0.00 -5.04 1.68 -1.54 1.01 0.00 0.00 176.35 172.46 1ugo n SER 41 N -5.40 4.22 0.00 2.29 3.41 -1.26 -3.99 113.62 112.88 1ugo n SER 41 Ca 0.13 -3.08 0.00 0.00 -0.26 0.00 0.00 58.87 55.66 1ugo n SER 41 Cb 0.60 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 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 -0.44 0.00 0.00 4.04 5.75 -1.26 -4.99 116.55 119.65 1ugo n ASP 42 Ca 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.17 1ugo n ASP 42 Cb 1.11 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.20 1ugo n ASP 42 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ugo n ASP 43 N 0.00 0.00 0.00 -1.12 2.03 -1.26 -4.97 116.55 111.23 1ugo n ASP 43 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ugo n ASP 43 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1ugo n ASP 43 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ugo n LYS 44 N -0.08 0.00 -1.21 -0.67 4.76 -1.26 -1.36 118.16 118.34 1ugo n LYS 44 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 1ugo n LYS 44 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1ugo n LYS 44 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1ugo n ASN 45 N 2.08 -0.56 0.10 4.39 2.85 -1.26 -4.98 115.26 117.88 1ugo n ASN 45 Ca 0.00 -1.18 -0.19 0.00 -0.11 0.00 0.00 54.58 53.10 1ugo n ASN 45 Cb 0.00 0.21 -0.15 0.00 1.24 0.00 0.00 39.78 41.08 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 0.17 0.63 0.00 1.20 3.20 -1.48 -3.31 116.97 117.38 1ugo h TYR 46 Ca -0.25 -0.46 0.00 0.00 3.14 0.00 0.00 58.73 61.15 1ugo h TYR 46 Cb 1.01 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.26 1ugo h TYR 46 CO -0.12 1.42 0.00 1.63 -1.64 0.00 0.00 178.16 179.46 1ugo n LYS 47 N -3.56 0.00 0.00 1.82 4.01 -1.26 0.55 118.16 119.72 1ugo n LYS 47 Ca -0.14 0.70 0.00 0.00 -0.51 0.00 0.00 58.31 58.36 1ugo n LYS 47 Cb 1.06 -1.46 0.00 0.00 -0.51 0.00 0.00 35.03 34.11 1ugo n LYS 47 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1ugo n ARG 48 N -2.35 0.00 -0.35 1.97 3.00 -1.26 0.20 116.66 117.87 1ugo n ARG 48 Ca 0.00 0.71 -0.09 0.00 -0.00 0.00 0.00 57.85 58.47 1ugo n ARG 48 Cb 0.00 -1.17 -0.08 0.00 0.00 0.00 0.00 32.46 31.21 1ugo n ARG 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1ugo n LEU 49 N -2.01 -0.87 -0.09 6.15 4.32 -1.20 -0.35 117.00 122.95 1ugo n LEU 49 Ca 0.00 1.59 -0.13 0.00 -0.02 0.00 0.00 56.01 57.45 1ugo n LEU 49 Cb 0.00 -0.25 -0.08 0.00 -1.62 0.00 0.00 43.42 41.47 1ugo n LEU 49 CO 0.00 -1.25 0.53 -0.08 -1.22 0.00 0.00 177.39 175.36 1ugo h GLU 50 N 0.00 -0.43 -0.85 3.23 4.81 0.16 0.36 114.58 121.87 1ugo h GLU 50 Ca 0.13 0.03 0.20 0.00 -0.13 0.00 0.00 59.36 59.59 1ugo h GLU 50 Cb 0.34 0.10 -0.16 0.00 0.63 0.00 0.00 28.75 29.66 1ugo h GLU 50 CO -0.77 -0.28 -0.05 0.00 -0.73 0.00 0.00 179.01 177.17 1ugo h ARG 51 N -0.44 0.05 0.00 1.92 3.08 0.52 0.69 114.38 120.20 1ugo h ARG 51 Ca 0.08 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1ugo h ARG 51 Cb 0.62 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1ugo h ARG 51 CO -0.53 0.03 0.00 -0.89 -1.07 0.00 0.00 179.97 177.51 1ugo n ILE 52 N -5.44 0.00 -0.24 2.04 5.41 0.37 0.60 119.36 122.10 1ugo n ILE 52 Ca 0.16 1.45 -0.07 0.00 1.00 0.00 0.00 62.75 65.29 1ugo n ILE 52 Cb 0.54 -2.31 -0.02 0.00 -0.71 0.00 0.00 39.64 37.15 1ugo n ILE 52 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1ugo h LEU 53 N 0.00 -1.42 -1.55 1.39 3.38 -0.37 1.43 115.31 118.17 1ugo h LEU 53 Ca 0.00 0.25 0.24 0.00 0.09 0.00 0.00 57.88 58.47 1ugo h LEU 53 Cb 0.00 0.68 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 1ugo h LEU 53 CO 0.00 -0.32 0.65 0.00 0.09 0.00 0.00 178.44 178.86 1ugo h THR 54 N -0.17 0.59 0.02 0.22 1.03 0.53 1.44 112.91 116.58 1ugo h THR 54 Ca 0.22 -0.11 -0.10 0.00 -0.01 0.00 0.00 66.41 66.41 1ugo h THR 54 Cb 0.56 0.24 0.01 0.00 -1.07 0.00 0.00 68.15 67.88 1ugo h THR 54 CO -0.74 0.06 -0.39 0.11 -0.01 0.00 0.00 175.52 174.55 1ugo h LYS 55 N 0.33 0.22 -0.36 0.00 6.56 0.70 -2.75 116.57 121.27 1ugo h LYS 55 Ca 0.51 -0.27 -0.01 0.00 -1.06 0.00 0.00 60.65 59.83 1ugo h LYS 55 Cb 1.43 0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 33.16 1ugo h LYS 55 CO -0.18 1.03 0.20 1.96 -2.06 0.00 0.00 179.45 180.39 1ugo h GLN 56 N -0.46 0.50 0.21 3.15 1.08 0.35 -2.64 115.11 117.30 1ugo h GLN 56 Ca -0.06 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1ugo h GLN 56 Cb 1.18 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 28.48 1ugo h GLN 56 CO 0.08 0.41 -0.40 1.25 -0.95 0.00 0.00 178.83 179.22 1ugo h LEU 57 N 0.45 -1.14 -1.81 1.46 7.12 0.18 0.10 115.31 121.68 1ugo h LEU 57 Ca 0.13 0.12 0.27 0.00 0.13 0.00 0.00 57.88 58.53 1ugo h LEU 57 Cb 0.05 0.41 -0.04 0.00 -0.53 0.00 0.00 40.66 40.56 1ugo h LEU 57 CO -0.02 -0.50 0.82 0.15 -0.13 0.00 0.00 178.44 178.76 1ugo h PHE 58 N -0.69 0.00 0.04 1.25 3.04 -1.33 1.44 116.94 120.69 1ugo h PHE 58 Ca 0.00 0.00 -0.23 0.00 3.98 0.00 0.00 57.97 61.73 1ugo h PHE 58 Cb 0.68 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.17 1ugo h PHE 58 CO -0.30 0.00 -1.05 0.93 -2.02 0.00 0.00 178.31 175.87 1ugo h GLU 59 N 0.00 0.12 -0.16 1.11 4.39 -0.49 -2.65 114.58 116.91 1ugo h GLU 59 Ca 0.45 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 1ugo h GLU 59 Cb 2.08 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 30.79 1ugo h GLU 59 CO -0.00 1.05 0.08 0.82 -1.16 0.00 0.00 179.01 179.79 1ugo h ILE 60 N 0.04 1.13 -0.10 3.13 2.04 0.33 -0.85 117.51 123.24 1ugo h ILE 60 Ca -0.06 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.36 1ugo h ILE 60 Cb 1.77 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1ugo h ILE 60 CO 0.15 0.12 -0.24 -0.78 0.00 0.00 0.00 178.15 177.41 1ugo h ASP 61 N 0.13 0.16 -0.32 1.72 1.82 -1.46 -2.07 116.42 116.40 1ugo h ASP 61 Ca 0.05 -0.04 -0.06 0.00 -0.39 0.00 0.00 57.03 56.59 1ugo h ASP 61 Cb 0.13 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 1ugo h ASP 61 CO -0.01 0.41 0.02 -1.28 -1.61 0.00 0.00 179.24 176.77 1ugo h SER 62 N 0.16 0.62 -2.05 2.28 0.87 -1.01 -3.42 113.55 111.01 1ugo h SER 62 Ca 0.03 -0.13 -0.58 0.00 -1.23 0.00 0.00 61.79 59.88 1ugo h SER 62 Cb 0.51 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1ugo h SER 62 CO 0.04 0.68 1.35 0.52 -0.53 0.00 0.00 176.83 178.89 1ugo n VAL 63 N -4.25 0.51 -3.00 2.23 0.31 -0.39 -4.92 118.33 108.82 1ugo n VAL 63 Ca 0.02 -0.29 -0.40 0.00 -0.01 0.00 0.00 64.34 63.66 1ugo n VAL 63 Cb 0.26 -2.33 -0.05 0.00 -0.91 0.00 0.00 33.84 30.81 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 6.43 7.07 -0.72 4.52 -1.08 -1.26 -5.01 116.67 126.63 1ugo s ASP 64 Ca 0.97 1.29 -0.01 0.00 -0.52 0.00 0.00 52.55 54.28 1ugo s ASP 64 Cb -0.45 -2.44 0.18 0.00 -1.46 0.00 0.00 42.92 38.75 1ugo s ASP 64 CO 0.41 -0.10 0.54 0.42 0.52 0.00 0.00 175.17 176.96 1ugo s THR 65 N 0.64 3.71 -0.68 1.71 -4.23 -1.26 -4.94 115.64 110.59 1ugo s THR 65 Ca 0.39 -3.48 -0.11 0.00 -1.18 0.00 0.00 61.69 57.31 1ugo s THR 65 Cb -0.19 -3.39 -0.09 0.00 1.34 0.00 0.00 72.50 70.17 1ugo s THR 65 CO 0.20 -0.96 1.86 1.21 -0.54 0.00 0.00 174.62 176.39 1ugo n GLU 66 N 2.85 1.48 -3.90 3.99 2.13 -1.26 -4.45 120.64 121.49 1ugo n GLU 66 Ca 0.14 -1.40 -0.34 0.00 0.66 0.00 0.00 57.16 56.22 1ugo n GLU 66 Cb 0.37 -2.52 0.01 0.00 0.27 0.00 0.00 31.44 29.57 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 4.10 -0.89 0.04 8.31 0.00 -1.26 -4.85 105.19 110.64 1ugo n GLY 67 Ca 0.40 0.38 -0.04 0.00 0.00 0.00 0.00 46.02 46.75 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 -3.74 2.40 0.00 1.61 5.02 -1.26 -5.04 118.16 117.16 1ugo n LYS 68 Ca -0.17 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1ugo n LYS 68 Cb 0.53 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 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 2.62 2.09 0.33 0.72 0.00 -1.26 -4.67 105.19 105.01 1ugo n GLY 69 Ca -0.13 -0.33 0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 0.07 0.00 1.61 1.82 -1.97 1.66 116.42 119.60 1ugo h ASP 70 Ca 0.00 0.25 -0.12 0.00 -0.39 0.00 0.00 57.03 56.77 1ugo h ASP 70 Cb 0.00 0.31 -0.02 0.00 0.68 0.00 0.00 39.33 40.30 1ugo h ASP 70 CO 0.00 -0.32 -0.71 0.40 -1.61 0.00 0.00 179.24 177.00 1ugo h ILE 71 N 0.09 0.94 -0.90 2.25 2.04 -1.97 -3.13 117.51 116.82 1ugo h ILE 71 Ca 0.71 -1.95 0.25 0.00 1.00 0.00 0.00 64.86 64.87 1ugo h ILE 71 Cb 1.69 2.02 -0.15 0.00 -0.74 0.00 0.00 36.82 39.65 1ugo h ILE 71 CO -0.77 0.32 0.27 -0.61 0.00 0.00 0.00 178.15 177.36 1ugo h GLN 72 N -1.00 0.20 0.77 2.37 -0.00 -1.43 0.48 115.11 116.50 1ugo h GLN 72 Ca -0.18 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.42 1ugo h GLN 72 Cb 1.00 -0.05 0.01 0.00 0.00 0.00 0.00 27.48 28.44 1ugo h GLN 72 CO -0.11 0.13 -0.37 1.96 0.00 0.00 0.00 178.83 180.45 1ugo h GLN 73 N 0.21 -1.00 -0.00 1.69 7.50 0.22 -0.53 115.11 123.20 1ugo h GLN 73 Ca 0.58 0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.81 1ugo h GLN 73 Cb 1.21 0.23 -0.01 0.00 0.05 0.00 0.00 27.48 28.95 1ugo h GLN 73 CO -0.66 -0.66 -0.11 0.00 -1.50 0.00 0.00 178.83 175.90 1ugo h ALA 74 N -1.23 -0.59 -0.61 3.87 0.00 -1.08 0.82 119.26 120.44 1ugo h ALA 74 Ca -0.11 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1ugo h ALA 74 Cb 0.80 0.60 -0.08 0.00 0.00 0.00 0.00 17.79 19.11 1ugo h ALA 74 CO 0.17 -0.62 -0.40 -0.09 0.00 0.00 0.00 179.25 178.32 1ugo h ARG 75 N -0.14 -0.04 -0.96 0.00 2.43 -0.22 1.36 114.38 116.81 1ugo h ARG 75 Ca 0.00 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1ugo h ARG 75 Cb 0.15 0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 29.59 1ugo h ARG 75 CO -0.07 -0.03 -0.58 -0.22 -1.51 0.00 0.00 179.97 177.56 1ugo h LYS 76 N -0.04 -0.02 -0.43 0.20 3.64 -0.81 1.45 116.57 120.54 1ugo h LYS 76 Ca 0.10 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1ugo h LYS 76 Cb 0.30 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1ugo h LYS 76 CO -0.60 -0.02 0.19 0.00 -2.27 0.00 0.00 179.45 176.76 1ugo h ARG 77 N -0.02 0.37 -0.29 1.90 2.47 0.14 -1.97 114.38 116.98 1ugo h ARG 77 Ca 0.16 -0.02 0.06 0.00 -1.26 0.00 0.00 59.98 58.92 1ugo h ARG 77 Cb 0.43 -0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 28.61 1ugo h ARG 77 CO -0.92 0.25 -0.06 0.00 0.56 0.00 0.00 179.97 179.80 1ugo h ALA 78 N 1.25 0.20 -0.78 0.04 0.00 0.65 1.06 119.26 121.69 1ugo h ALA 78 Ca 0.19 0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.38 1ugo h ALA 78 Cb 0.14 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 18.03 1ugo h ALA 78 CO -0.16 -0.46 0.25 0.00 0.00 0.00 0.00 179.25 178.88 1ugo h ALA 79 N 1.28 1.09 -0.12 0.00 0.00 0.24 0.19 119.26 121.94 1ugo h ALA 79 Ca 0.14 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1ugo h ALA 79 Cb 0.21 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ugo h ALA 79 CO -0.29 -0.31 -0.33 1.96 0.00 0.00 0.00 179.25 180.28 1ugo h GLN 80 N 0.34 0.44 -0.01 0.00 4.20 -0.41 -2.87 115.11 116.79 1ugo h GLN 80 Ca 0.45 -0.31 0.02 0.00 0.06 0.00 0.00 58.65 58.87 1ugo h GLN 80 Cb 0.78 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.57 1ugo h GLN 80 CO -0.50 0.93 -0.41 0.93 -0.67 0.00 0.00 178.83 179.11 1ugo h GLU 81 N 0.03 -0.49 -0.18 1.46 3.07 0.30 0.55 114.58 119.32 1ugo h GLU 81 Ca -0.01 0.03 0.03 0.00 -0.50 0.00 0.00 59.36 58.92 1ugo h GLU 81 Cb 0.95 0.11 -0.06 0.00 -0.84 0.00 0.00 28.75 28.91 1ugo h GLU 81 CO 0.07 -0.32 -0.47 1.15 -1.40 0.00 0.00 179.01 178.04 1ugo h THR 82 N -0.51 0.00 -1.03 1.13 2.02 -0.82 0.19 112.91 113.89 1ugo h THR 82 Ca 0.01 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.45 1ugo h THR 82 Cb 0.55 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.86 1ugo h THR 82 CO -0.28 0.00 0.65 -0.33 0.37 0.00 0.00 175.52 175.93 1ugo h GLU 83 N -0.45 0.43 -0.62 6.66 4.39 -1.25 0.47 114.58 124.20 1ugo h GLU 83 Ca 0.04 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.76 1ugo h GLU 83 Cb 0.56 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.06 1ugo h GLU 83 CO -0.41 0.28 0.35 -0.09 -1.16 0.00 0.00 179.01 177.98 1ugo h ARG 84 N 0.44 0.63 -0.09 2.33 1.12 0.32 0.46 114.38 119.59 1ugo h ARG 84 Ca 0.61 -0.04 -0.13 0.00 -1.11 0.00 0.00 59.98 59.30 1ugo h ARG 84 Cb 1.44 -0.14 0.01 0.00 -0.01 0.00 0.00 29.97 31.26 1ugo h ARG 84 CO -0.34 0.42 -0.47 -0.07 -3.11 0.00 0.00 179.97 176.40 1ugo h LEU 85 N 0.65 0.57 -0.85 3.80 -0.00 0.70 -0.19 115.31 119.99 1ugo h LEU 85 Ca 0.27 -0.65 0.11 0.00 -0.00 0.00 0.00 57.88 57.61 1ugo h LEU 85 Cb 0.15 -0.17 -0.08 0.00 -0.00 0.00 0.00 40.66 40.56 1ugo h LEU 85 CO -0.17 1.13 0.48 -0.07 -0.00 0.00 0.00 178.44 179.81 1ugo h LEU 86 N 0.06 0.68 -0.46 1.67 3.38 -0.05 0.25 115.31 120.84 1ugo h LEU 86 Ca -0.03 0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 1ugo h LEU 86 Cb 1.12 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1ugo h LEU 86 CO 0.10 0.37 -0.73 0.50 0.09 0.00 0.00 178.44 178.76 1ugo h LYS 87 N 0.78 0.28 0.00 1.13 3.64 -0.05 -2.32 116.57 120.03 1ugo h LYS 87 Ca 0.42 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1ugo h LYS 87 Cb 0.42 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1ugo h LYS 87 CO -0.27 0.89 0.00 0.93 -2.27 0.00 0.00 179.45 178.73 1ugo h GLU 88 N 0.18 0.00 0.00 1.90 4.39 0.11 -2.30 114.58 118.86 1ugo h GLU 88 Ca -0.03 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1ugo h GLU 88 Cb 1.30 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1ugo h GLU 88 CO 0.12 0.00 -0.34 1.25 -1.16 0.00 0.00 179.01 178.88 1ugo h LEU 89 N 0.00 0.00 -1.33 1.33 5.85 -0.30 -2.35 115.31 118.51 1ugo h LEU 89 Ca 0.00 -0.00 0.33 0.00 0.84 0.00 0.00 57.88 59.04 1ugo h LEU 89 Cb 0.38 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.30 1ugo h LEU 89 CO 0.00 0.67 0.71 1.05 -0.34 0.00 0.00 178.44 180.53 1ugo h GLU 90 N -1.00 0.28 0.18 1.25 4.11 -1.41 1.48 114.58 119.48 1ugo h GLU 90 Ca -0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 1ugo h GLU 90 Cb 0.34 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1ugo h GLU 90 CO -0.00 0.19 -0.09 1.96 0.07 0.00 0.00 179.01 181.14 1ugo h GLN 91 N 0.29 -0.23 -0.65 1.06 4.20 -1.56 -3.26 115.11 114.96 1ugo h GLN 91 Ca 0.68 0.02 0.19 0.00 0.06 0.00 0.00 58.65 59.60 1ugo h GLN 91 Cb 1.86 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 29.66 1ugo h GLN 91 CO -0.38 -0.16 0.54 -0.91 -0.67 0.00 0.00 178.83 177.26 1ugo h ASN 92 N -0.96 0.00 0.00 1.46 2.35 -0.70 -2.51 115.58 115.22 1ugo h ASN 92 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1ugo h ASN 92 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1ugo h ASN 92 CO 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.82 1ugo n ALA 93 N -2.54 -0.11 0.00 -0.83 0.00 0.50 -4.60 120.51 112.93 1ugo n ALA 93 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1ugo n ALA 93 Cb 0.79 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.55 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 -2.24 0.00 -1.24 0.00 2.88 -0.94 -3.26 113.62 108.81 1ugo n SER 94 Ca 0.00 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.69 1ugo n SER 94 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 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 -0.45 -1.93 3.81 0.46 0.00 -1.26 -4.84 105.19 100.98 1ugo n GLY 95 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 1ugo n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugo s PRO 96 N -2.84 2.17 -0.04 1.61 0.04 -1.26 -5.03 135.00 129.65 1ugo s PRO 96 Ca 0.00 0.67 -0.20 0.00 0.04 0.00 0.00 61.00 61.51 1ugo s PRO 96 Cb 0.00 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1ugo s PRO 96 CO 0.00 -1.56 0.55 -1.54 0.04 0.00 0.00 177.00 174.49 1ugo s SER 97 N -3.90 6.87 0.00 6.66 1.04 -1.26 -4.69 113.70 118.42 1ugo s SER 97 Ca 0.60 1.04 0.00 0.00 0.48 0.00 0.00 55.95 58.07 1ugo s SER 97 Cb -0.14 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.64 1ugo s SER 97 CO 0.54 0.07 0.00 -1.20 0.98 0.00 0.00 173.24 173.63 1ugo n SER 98 N 3.03 0.00 0.00 7.02 7.64 -1.26 -5.34 113.62 124.71 1ugo n SER 98 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1ugo n SER 98 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1ugo n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64