#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugo s SER 2 N 0.00 -0.58 -0.71 1.61 0.15 -1.26 -5.10 113.70 107.81 1ugo s SER 2 Ca 0.00 -0.15 -0.23 0.00 0.70 0.00 0.00 55.95 56.26 1ugo s SER 2 Cb 0.00 1.55 0.06 0.00 -1.71 0.00 0.00 66.02 65.92 1ugo s SER 2 CO 0.00 -0.32 1.07 -0.44 1.20 0.00 0.00 173.24 174.75 1ugo s SER 3 N 2.64 6.22 -0.44 5.45 0.01 -1.26 -4.86 113.70 121.46 1ugo s SER 3 Ca 0.10 -0.96 0.07 0.00 1.31 0.00 0.00 55.95 56.46 1ugo s SER 3 Cb -0.11 -2.46 0.23 0.00 0.21 0.00 0.00 66.02 63.89 1ugo s SER 3 CO -0.27 -1.51 0.63 0.61 0.41 0.00 0.00 173.24 173.10 1ugo n GLY 4 N 5.42 1.49 2.73 3.44 0.00 -1.26 -5.02 105.19 111.99 1ugo n GLY 4 Ca 0.01 -0.77 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 1ugo n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ugo s SER 5 N -0.91 -0.43 -0.20 1.61 0.15 -1.26 -5.16 113.70 107.50 1ugo s SER 5 Ca 0.33 -0.40 -0.27 0.00 0.70 0.00 0.00 55.95 56.30 1ugo s SER 5 Cb 0.15 0.56 0.09 0.00 -1.71 0.00 0.00 66.02 65.11 1ugo s SER 5 CO -0.16 -0.03 0.83 -0.55 1.20 0.00 0.00 173.24 174.53 1ugo s SER 6 N 1.32 -0.59 0.66 5.45 0.15 -1.26 -5.18 113.70 114.25 1ugo s SER 6 Ca 0.21 0.96 0.02 0.00 0.70 0.00 0.00 55.95 57.84 1ugo s SER 6 Cb 0.08 0.91 0.11 0.00 -1.71 0.00 0.00 66.02 65.40 1ugo s SER 6 CO -0.11 -0.33 0.91 -0.83 1.20 0.00 0.00 173.24 174.07 1ugo s GLY 7 N -0.29 1.76 -0.30 9.45 0.00 -1.26 -5.11 107.32 111.57 1ugo s GLY 7 Ca -0.02 -1.80 -0.05 0.00 0.00 0.00 0.00 44.72 42.85 1ugo s GLY 7 CO 0.02 -1.30 0.83 -0.29 0.00 0.00 0.00 173.10 172.36 1ugo s MET 8 N -4.96 0.36 -0.22 2.90 0.00 -1.26 -5.13 119.30 110.98 1ugo s MET 8 Ca 0.64 0.50 -0.03 0.00 0.00 0.00 0.00 55.69 56.79 1ugo s MET 8 Cb -0.06 0.26 0.11 0.00 0.00 0.00 0.00 34.83 35.14 1ugo s MET 8 CO 0.42 -0.53 0.28 0.34 0.00 0.00 0.00 175.02 175.53 1ugo s ASP 9 N 2.90 0.99 0.00 1.11 2.15 -1.26 -5.13 116.67 117.43 1ugo s ASP 9 Ca 0.14 -0.08 0.00 0.00 0.43 0.00 0.00 52.55 53.04 1ugo s ASP 9 Cb -0.09 0.64 0.00 0.00 -0.30 0.00 0.00 42.92 43.17 1ugo s ASP 9 CO -0.20 -0.32 0.00 0.80 -0.17 0.00 0.00 175.17 175.28 1ugo n MET 10 N 5.33 0.00 -2.96 4.34 1.56 -1.26 -5.08 117.12 119.06 1ugo n MET 10 Ca -0.05 0.00 -0.44 0.00 -0.27 0.00 0.00 57.70 56.94 1ugo n MET 10 Cb 0.50 0.00 -0.00 0.00 2.15 0.00 0.00 33.22 35.86 1ugo n MET 10 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1ugo s GLY 11 N 0.00 2.40 0.00 -5.12 0.00 -1.26 -4.81 107.32 98.53 1ugo s GLY 11 Ca 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 44.72 41.38 1ugo s GLY 11 CO 0.00 2.03 0.00 0.70 0.00 0.00 0.00 173.10 175.83 1ugo n ASN 12 N 5.63 0.00 -4.42 1.64 3.02 -1.26 -5.12 115.26 114.75 1ugo n ASN 12 Ca 0.36 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.47 1ugo n ASN 12 Cb 0.43 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.00 3.10 0.27 3.52 0.74 -1.26 -5.02 119.66 121.00 1ugo s GLN 13 Ca 0.00 -1.03 -0.27 0.00 0.05 0.00 0.00 55.36 54.11 1ugo s GLN 13 Cb 0.00 -4.15 -0.16 0.00 1.10 0.00 0.00 33.01 29.80 1ugo s GLN 13 CO 0.00 -1.32 0.61 1.58 -0.55 0.00 0.00 175.29 175.62 1ugo n HIS 14 N 6.21 -0.17 1.08 1.67 -0.00 -1.26 -4.80 115.22 117.95 1ugo n HIS 14 Ca -0.08 0.82 0.11 0.00 -0.00 0.00 0.00 57.72 58.58 1ugo n HIS 14 Cb 0.44 -2.02 0.57 0.00 -0.00 0.00 0.00 29.99 28.98 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 0.90 0.33 -0.10 1.57 -0.04 -1.26 -2.40 135.00 134.00 1ugo n PRO 15 Ca 0.14 0.07 -0.13 0.00 -0.04 0.00 0.00 63.50 63.54 1ugo n PRO 15 Cb 0.30 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.12 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 -1.28 0.89 0.14 3.54 7.64 -1.26 -3.79 113.62 119.49 1ugo n SER 16 Ca 0.11 -0.02 -0.12 0.00 1.01 0.00 0.00 58.87 59.84 1ugo n SER 16 Cb 0.18 0.33 -0.08 0.00 -1.01 0.00 0.00 64.21 63.63 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 0.67 -0.79 0.44 1.08 -1.87 -1.93 117.51 115.11 1ugo h ILE 17 Ca -0.54 -0.72 0.13 0.00 -0.39 0.00 0.00 64.86 63.34 1ugo h ILE 17 Cb 2.10 1.01 -0.09 0.00 -3.07 0.00 0.00 36.82 36.77 1ugo h ILE 17 CO -0.01 0.13 0.39 -1.28 -0.69 0.00 0.00 178.15 176.69 1ugo h SER 18 N -0.82 0.48 0.49 1.72 0.87 -1.70 0.11 113.55 114.70 1ugo h SER 18 Ca -0.04 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1ugo h SER 18 Cb 0.51 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1ugo h SER 18 CO 0.07 0.23 -0.39 0.03 -0.53 0.00 0.00 176.83 176.24 1ugo h ARG 19 N 0.60 -0.82 -0.99 2.24 -0.00 -1.64 0.46 114.38 114.23 1ugo h ARG 19 Ca 0.42 0.06 0.23 0.00 -0.50 0.00 0.00 59.98 60.18 1ugo h ARG 19 Cb 0.54 0.19 -0.09 0.00 0.00 0.00 0.00 29.97 30.61 1ugo h ARG 19 CO -0.33 -0.55 0.63 -0.07 0.00 0.00 0.00 179.97 179.66 1ugo h LEU 20 N -0.85 0.50 -1.10 3.04 3.38 -0.86 1.60 115.31 121.02 1ugo h LEU 20 Ca -0.06 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1ugo h LEU 20 Cb 0.71 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1ugo h LEU 20 CO 0.01 0.15 -0.26 1.56 0.09 0.00 0.00 178.44 180.00 1ugo h GLN 21 N 0.47 0.00 0.00 1.13 4.20 0.03 1.44 115.11 122.39 1ugo h GLN 21 Ca 0.55 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.26 1ugo h GLN 21 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1ugo h GLN 21 CO -0.27 0.26 -0.99 0.39 -0.67 0.00 0.00 178.83 177.55 1ugo n GLU 22 N -3.44 0.35 -0.09 1.46 1.02 0.47 -3.30 120.64 117.11 1ugo n GLU 22 Ca -0.00 0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 57.07 1ugo n GLU 22 Cb 0.44 -1.64 -0.15 0.00 -0.02 0.00 0.00 31.44 30.07 1ugo n GLU 22 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1ugo n ILE 23 N -2.10 1.30 0.07 -3.67 5.41 0.27 -4.20 119.36 116.44 1ugo n ILE 23 Ca 0.02 -0.80 -0.13 0.00 1.00 0.00 0.00 62.75 62.85 1ugo n ILE 23 Cb 0.46 -0.52 -0.09 0.00 -0.71 0.00 0.00 39.64 38.78 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 0.00 -0.21 -0.08 0.38 4.20 0.18 -2.39 115.11 117.20 1ugo h GLN 24 Ca -0.51 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.23 1ugo h GLN 24 Cb 2.16 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.98 1ugo h GLN 24 CO 0.03 0.18 0.27 0.07 -0.67 0.00 0.00 178.83 178.71 1ugo h ARG 25 N -0.65 0.00 0.14 1.46 0.11 -1.74 0.25 114.38 113.94 1ugo h ARG 25 Ca -0.02 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 1ugo h ARG 25 Cb 0.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.56 1ugo h ARG 25 CO 0.04 0.00 -0.07 0.93 0.10 0.00 0.00 179.97 180.97 1ugo h GLU 26 N 0.00 -0.18 -0.12 0.08 4.39 -1.66 0.40 114.58 117.49 1ugo h GLU 26 Ca 0.04 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 1ugo h GLU 26 Cb 0.58 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1ugo h GLU 26 CO -0.00 0.07 0.06 -0.39 -1.16 0.00 0.00 179.01 177.59 1ugo h VAL 27 N -1.01 1.04 0.13 3.13 -1.51 -0.80 0.33 116.25 117.56 1ugo h VAL 27 Ca -0.02 -0.12 -0.26 0.00 -1.23 0.00 0.00 66.70 65.07 1ugo h VAL 27 Cb 0.33 0.89 0.03 0.00 -2.13 0.00 0.00 31.29 30.41 1ugo h VAL 27 CO 0.03 0.05 -1.11 0.50 -1.23 0.00 0.00 177.57 175.80 1ugo h LYS 28 N 0.16 0.53 0.00 5.19 3.64 -0.61 0.81 116.57 126.29 1ugo h LYS 28 Ca 0.04 -0.74 0.00 0.00 -1.27 0.00 0.00 60.65 58.68 1ugo h LYS 28 Cb 0.01 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1ugo h LYS 28 CO -0.01 1.33 0.00 0.00 -2.27 0.00 0.00 179.45 178.50 1ugo n ALA 29 N -2.67 1.68 0.24 5.00 0.00 0.14 -1.72 120.51 123.18 1ugo n ALA 29 Ca -0.14 0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.36 1ugo n ALA 29 Cb 0.93 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.99 0.00 -0.22 0.00 -6.64 0.11 -4.59 119.36 106.03 1ugo n ILE 30 Ca 0.03 -0.43 0.02 0.00 -1.77 0.00 0.00 62.75 60.60 1ugo n ILE 30 Cb 0.21 1.05 0.14 0.00 -1.44 0.00 0.00 39.64 39.60 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 0.47 0.37 -0.01 6.28 4.81 0.15 -0.44 114.58 126.21 1ugo h GLU 31 Ca 0.00 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.03 1ugo h GLU 31 Cb 0.17 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1ugo h GLU 31 CO 0.00 0.24 -0.79 -1.00 -0.73 0.00 0.00 179.01 176.73 1ugo h PRO 32 N 0.38 0.15 -0.11 0.92 0.13 -1.82 -2.22 132.00 129.43 1ugo h PRO 32 Ca 0.35 -0.14 0.03 0.00 -0.87 0.00 0.00 66.00 65.37 1ugo h PRO 32 Cb 0.50 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 1ugo h PRO 32 CO -0.37 0.86 0.15 1.96 -0.23 0.00 0.00 178.00 180.37 1ugo h GLN 33 N 0.09 0.00 0.00 0.86 4.20 -1.35 1.40 115.11 120.31 1ugo h GLN 33 Ca -0.03 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.35 1ugo h GLN 33 Cb 1.38 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.11 1ugo h GLN 33 CO 0.12 0.00 -1.83 0.28 -0.67 0.00 0.00 178.83 176.72 1ugo n VAL 34 N -3.62 1.53 0.00 -0.54 0.31 -0.82 -3.10 118.33 112.09 1ugo n VAL 34 Ca -0.00 -0.19 0.06 0.00 -0.01 0.00 0.00 64.34 64.19 1ugo n VAL 34 Cb 0.25 -1.97 0.45 0.00 -0.91 0.00 0.00 33.84 31.67 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 -0.98 1.06 -0.57 2.52 2.07 -0.90 0.97 116.25 120.42 1ugo h VAL 35 Ca -0.51 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1ugo h VAL 35 Cb 1.45 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1ugo h VAL 35 CO -0.30 0.09 0.00 0.61 0.02 0.00 0.00 177.57 177.99 1ugo n GLY 36 N -1.49 2.88 3.76 2.17 0.00 0.47 -4.97 105.19 108.02 1ugo n GLY 36 Ca 0.04 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.54 2.46 -0.43 1.61 5.36 0.33 -4.94 117.98 119.82 1ugo s PHE 37 Ca 0.52 0.95 0.02 0.00 -0.96 0.00 0.00 56.93 57.47 1ugo s PHE 37 Cb 0.39 -3.31 0.19 0.00 -0.34 0.00 0.00 43.02 39.95 1ugo s PHE 37 CO 0.17 -2.40 0.82 -1.12 -1.46 0.00 0.00 175.22 171.23 1ugo s SER 38 N -3.84 -1.09 -0.24 6.13 0.01 -1.26 -4.83 113.70 108.57 1ugo s SER 38 Ca 0.64 -1.00 -0.27 0.00 1.31 0.00 0.00 55.95 56.63 1ugo s SER 38 Cb -0.16 1.42 0.12 0.00 0.21 0.00 0.00 66.02 67.61 1ugo s SER 38 CO 0.55 -0.07 1.02 -0.83 0.41 0.00 0.00 173.24 174.32 1ugo s GLY 39 N 1.29 -0.19 1.04 3.44 0.00 -1.19 -5.07 107.32 106.65 1ugo s GLY 39 Ca 0.23 2.47 -0.12 0.00 0.00 0.00 0.00 44.72 47.30 1ugo s GLY 39 CO -0.08 1.58 0.89 1.04 0.00 0.00 0.00 173.10 176.53 1ugo n LEU 40 N 1.74 0.53 -4.55 0.66 7.99 -1.26 -3.95 117.00 118.15 1ugo n LEU 40 Ca -0.12 0.14 -0.28 0.00 -0.01 0.00 0.00 56.01 55.73 1ugo n LEU 40 Cb 0.56 -1.31 -0.04 0.00 -0.11 0.00 0.00 43.42 42.52 1ugo n LEU 40 CO 0.07 -2.87 1.66 -0.94 -1.51 0.00 0.00 177.39 173.80 1ugo s SER 41 N -2.39 4.40 0.00 -1.43 1.04 -1.26 -3.01 113.70 111.04 1ugo s SER 41 Ca 0.65 0.53 0.00 0.00 0.48 0.00 0.00 55.95 57.61 1ugo s SER 41 Cb -0.23 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1ugo s SER 41 CO 0.63 -3.15 0.00 0.47 0.98 0.00 0.00 173.24 172.17 1ugo n ASP 42 N 16.35 -1.99 -0.05 7.02 8.00 -1.26 -5.06 116.55 139.56 1ugo n ASP 42 Ca 0.38 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.81 1ugo n ASP 42 Cb 0.50 -0.99 -0.02 0.00 -0.02 0.00 0.00 41.12 40.58 1ugo n ASP 42 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1ugo n ASP 43 N -0.69 1.69 0.00 -2.24 5.75 -1.16 -5.01 116.55 114.88 1ugo n ASP 43 Ca 0.00 0.27 0.00 0.00 -0.01 0.00 0.00 54.79 55.05 1ugo n ASP 43 Cb 0.19 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 1ugo n ASP 43 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1ugo n LYS 44 N -4.17 0.00 0.02 0.11 4.81 -1.26 -4.92 118.16 112.76 1ugo n LYS 44 Ca -0.12 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.43 1ugo n LYS 44 Cb 0.39 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.37 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 -0.72 0.46 0.23 3.14 2.85 -1.26 -4.09 115.26 115.88 1ugo n ASN 45 Ca 0.00 -0.13 0.06 0.00 -0.11 0.00 0.00 54.58 54.40 1ugo n ASN 45 Cb 0.00 1.22 0.54 0.00 1.24 0.00 0.00 39.78 42.78 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 0.00 0.73 1.20 5.03 -1.91 -2.90 116.97 119.12 1ugo h TYR 46 Ca 0.00 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 1ugo h TYR 46 Cb 0.85 0.00 0.01 0.00 1.55 0.00 0.00 36.73 39.14 1ugo h TYR 46 CO 0.00 0.17 -0.35 0.87 -1.32 0.00 0.00 178.16 177.53 1ugo h LYS 47 N 0.00 -0.94 -0.54 1.82 1.79 -1.97 -2.16 116.57 114.57 1ugo h LYS 47 Ca -0.00 0.06 0.05 0.00 -2.18 0.00 0.00 60.65 58.59 1ugo h LYS 47 Cb 0.31 0.21 -0.08 0.00 -1.58 0.00 0.00 32.23 31.09 1ugo h LYS 47 CO 0.02 -0.61 -0.45 -0.09 -1.08 0.00 0.00 179.45 177.24 1ugo h ARG 48 N -1.20 -0.16 -0.21 3.15 2.43 -1.74 1.39 114.38 118.03 1ugo h ARG 48 Ca -0.10 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1ugo h ARG 48 Cb 0.77 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.32 1ugo h ARG 48 CO 0.16 -0.11 -0.19 -0.07 -1.51 0.00 0.00 179.97 178.25 1ugo h LEU 49 N -0.17 -0.68 -0.40 3.80 3.38 -1.56 0.37 115.31 120.06 1ugo h LEU 49 Ca 0.09 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.24 1ugo h LEU 49 Cb 0.40 0.29 -0.09 0.00 0.09 0.00 0.00 40.66 41.35 1ugo h LEU 49 CO -0.60 -0.12 -0.28 -0.08 0.09 0.00 0.00 178.44 177.46 1ugo h GLU 50 N -0.09 -0.20 -0.77 1.13 4.81 -0.64 -0.05 114.58 118.78 1ugo h GLU 50 Ca 0.04 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.44 1ugo h GLU 50 Cb 0.18 0.05 -0.14 0.00 0.63 0.00 0.00 28.75 29.46 1ugo h GLU 50 CO -0.25 -0.13 -0.11 0.00 -0.73 0.00 0.00 179.01 177.79 1ugo h ARG 51 N -0.21 0.04 0.07 1.92 3.08 0.33 0.85 114.38 120.46 1ugo h ARG 51 Ca 0.19 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.24 1ugo h ARG 51 Cb 0.50 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1ugo h ARG 51 CO -0.52 0.02 -0.27 0.82 -1.07 0.00 0.00 179.97 178.95 1ugo h ILE 52 N 0.04 0.00 -0.31 2.04 2.04 0.16 1.52 117.51 122.99 1ugo h ILE 52 Ca 0.39 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.32 1ugo h ILE 52 Cb 0.65 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.66 1ugo h ILE 52 CO -0.75 0.00 -0.20 -0.07 0.00 0.00 0.00 178.15 177.14 1ugo h LEU 53 N -0.40 -0.65 -1.13 1.44 3.38 -0.71 1.26 115.31 118.50 1ugo h LEU 53 Ca -0.01 0.14 0.15 0.00 0.09 0.00 0.00 57.88 58.25 1ugo h LEU 53 Cb 0.39 0.33 -0.08 0.00 0.09 0.00 0.00 40.66 41.39 1ugo h LEU 53 CO -0.14 -0.23 0.61 0.00 0.09 0.00 0.00 178.44 178.76 1ugo h THR 54 N -0.16 0.83 0.09 0.22 1.03 0.12 1.21 112.91 116.25 1ugo h THR 54 Ca 0.16 -0.28 -0.00 0.00 -0.01 0.00 0.00 66.41 66.28 1ugo h THR 54 Cb 0.41 -0.05 0.00 0.00 -1.07 0.00 0.00 68.15 67.44 1ugo h THR 54 CO -0.41 0.15 -0.05 0.11 -0.01 0.00 0.00 175.52 175.32 1ugo h LYS 55 N 0.81 -0.12 -0.42 0.00 6.56 0.49 -2.05 116.57 121.84 1ugo h LYS 55 Ca 0.50 0.01 0.06 0.00 -1.06 0.00 0.00 60.65 60.15 1ugo h LYS 55 Cb 0.69 0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 32.33 1ugo h LYS 55 CO -0.26 0.39 0.13 1.96 -2.06 0.00 0.00 179.45 179.61 1ugo h GLN 56 N -0.76 0.28 0.34 3.15 1.08 0.23 -1.97 115.11 117.45 1ugo h GLN 56 Ca -0.01 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1ugo h GLN 56 Cb 0.57 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.91 1ugo h GLN 56 CO 0.02 0.19 -0.40 1.25 -0.95 0.00 0.00 178.83 178.93 1ugo h LEU 57 N 0.29 -1.12 -1.82 1.46 7.12 0.14 0.31 115.31 121.69 1ugo h LEU 57 Ca 0.20 0.10 0.29 0.00 0.13 0.00 0.00 57.88 58.61 1ugo h LEU 57 Cb 0.21 0.39 -0.04 0.00 -0.53 0.00 0.00 40.66 40.68 1ugo h LEU 57 CO -0.22 -0.54 0.86 0.15 -0.13 0.00 0.00 178.44 178.56 1ugo h PHE 58 N -0.78 0.00 0.04 1.25 3.04 -0.94 1.54 116.94 121.09 1ugo h PHE 58 Ca -0.02 0.00 -0.22 0.00 3.98 0.00 0.00 57.97 61.71 1ugo h PHE 58 Cb 0.72 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.21 1ugo h PHE 58 CO -0.25 0.00 -1.02 0.93 -2.02 0.00 0.00 178.31 175.95 1ugo h GLU 59 N 0.00 0.13 -0.08 1.11 4.39 -0.24 -2.85 114.58 117.04 1ugo h GLU 59 Ca 0.48 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.98 1ugo h GLU 59 Cb 2.19 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 30.90 1ugo h GLU 59 CO -0.01 1.03 0.04 0.82 -1.16 0.00 0.00 179.01 179.74 1ugo h ILE 60 N 0.05 1.11 0.00 3.13 2.04 0.34 -0.22 117.51 123.97 1ugo h ILE 60 Ca -0.05 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1ugo h ILE 60 Cb 1.72 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1ugo h ILE 60 CO 0.15 0.09 -0.12 -0.78 0.00 0.00 0.00 178.15 177.49 1ugo h ASP 61 N 0.01 0.00 1.21 1.72 1.82 -1.47 -0.39 116.42 119.33 1ugo h ASP 61 Ca 0.03 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.59 1ugo h ASP 61 Cb 0.11 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.11 1ugo h ASP 61 CO -0.00 0.12 -0.38 -1.28 -1.61 0.00 0.00 179.24 176.08 1ugo h SER 62 N 0.00 0.00 -2.85 2.28 0.87 -1.04 -3.43 113.55 109.38 1ugo h SER 62 Ca -0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 1ugo h SER 62 Cb 0.32 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 1ugo h SER 62 CO 0.02 0.38 1.09 -0.69 -0.53 0.00 0.00 176.83 177.10 1ugo s VAL 63 N -3.30 3.80 0.48 2.23 1.01 -0.16 -4.98 120.40 119.47 1ugo s VAL 63 Ca 0.02 0.90 -0.19 0.00 0.00 0.00 0.00 61.98 62.71 1ugo s VAL 63 Cb 0.09 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 1ugo s VAL 63 CO 0.70 -0.33 0.99 -0.62 0.00 0.00 0.00 175.10 175.83 1ugo s ASP 64 N 3.89 6.64 -0.13 3.32 2.15 -1.26 -4.99 116.67 126.30 1ugo s ASP 64 Ca 0.68 1.72 -0.07 0.00 0.43 0.00 0.00 52.55 55.31 1ugo s ASP 64 Cb -0.23 -2.54 -0.06 0.00 -0.30 0.00 0.00 42.92 39.80 1ugo s ASP 64 CO 0.28 -0.57 -0.18 0.35 -0.17 0.00 0.00 175.17 174.88 1ugo n THR 65 N -1.06 0.80 -1.30 1.71 -2.24 -1.26 -4.76 114.28 106.18 1ugo n THR 65 Ca 0.07 -0.15 -0.08 0.00 -2.27 0.00 0.00 64.05 61.63 1ugo n THR 65 Cb 0.54 -1.71 -0.03 0.00 -2.10 0.00 0.00 70.33 67.02 1ugo n THR 65 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ugo n GLU 66 N -3.64 -0.57 -1.99 -0.78 2.13 -1.26 -3.37 120.64 111.15 1ugo n GLU 66 Ca -0.25 0.76 -0.02 0.00 0.66 0.00 0.00 57.16 58.31 1ugo n GLU 66 Cb 0.65 -4.61 0.01 0.00 0.27 0.00 0.00 31.44 27.76 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 -1.92 0.47 2.80 8.31 0.00 -1.26 -5.04 105.19 108.55 1ugo n GLY 67 Ca -0.08 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.78 1.40 0.16 1.61 1.02 -1.22 -5.00 119.74 113.93 1ugo s LYS 68 Ca 0.02 -2.02 -0.23 0.00 0.02 0.00 0.00 55.97 53.76 1ugo s LYS 68 Cb -0.00 -2.62 0.02 0.00 -0.52 0.00 0.00 37.83 34.71 1ugo s LYS 68 CO 0.09 -1.10 1.32 0.41 -0.92 0.00 0.00 175.35 175.15 1ugo n GLY 69 N 3.68 -2.09 0.32 -3.33 0.00 -1.26 0.19 105.19 102.70 1ugo n GLY 69 Ca 0.06 1.00 0.20 0.00 0.00 0.00 0.00 46.02 47.28 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 -5.13 0.06 -0.07 1.61 8.00 -1.26 0.19 116.55 119.95 1ugo n ASP 70 Ca 0.04 1.60 -0.05 0.00 0.71 0.00 0.00 54.79 57.09 1ugo n ASP 70 Cb 0.26 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 1ugo n ASP 70 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1ugo h ILE 71 N 0.00 0.29 -0.99 0.53 2.04 0.17 -3.21 117.51 116.34 1ugo h ILE 71 Ca 0.66 -1.27 0.21 0.00 1.00 0.00 0.00 64.86 65.47 1ugo h ILE 71 Cb 1.55 0.60 -0.19 0.00 -0.74 0.00 0.00 36.82 38.05 1ugo h ILE 71 CO -0.83 0.10 -0.20 -0.61 0.00 0.00 0.00 178.15 176.61 1ugo h GLN 72 N -1.00 0.00 0.53 2.37 4.15 0.36 0.45 115.11 121.97 1ugo h GLN 72 Ca -0.04 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1ugo h GLN 72 Cb 0.43 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 1ugo h GLN 72 CO -0.02 0.00 -0.44 1.96 -1.93 0.00 0.00 178.83 178.39 1ugo h GLN 73 N 0.00 -0.91 -0.07 1.69 4.20 0.19 0.88 115.11 121.09 1ugo h GLN 73 Ca 0.50 0.06 0.02 0.00 0.06 0.00 0.00 58.65 59.29 1ugo h GLN 73 Cb 0.81 0.21 -0.05 0.00 0.30 0.00 0.00 27.48 28.75 1ugo h GLN 73 CO -1.00 -0.61 -0.47 0.00 -0.67 0.00 0.00 178.83 176.08 1ugo h ALA 74 N -1.09 -0.86 -0.06 3.87 0.00 -0.80 1.25 119.26 121.58 1ugo h ALA 74 Ca -0.07 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ugo h ALA 74 Cb 0.80 0.93 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1ugo h ALA 74 CO -0.01 -1.01 -0.05 -0.09 0.00 0.00 0.00 179.25 178.09 1ugo h ARG 75 N -0.54 -0.01 -0.97 0.00 2.43 -0.15 1.64 114.38 116.79 1ugo h ARG 75 Ca 0.02 0.00 0.23 0.00 -0.81 0.00 0.00 59.98 59.42 1ugo h ARG 75 Cb 0.60 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.08 1ugo h ARG 75 CO -0.35 -0.01 0.63 1.57 -1.51 0.00 0.00 179.97 180.30 1ugo h LYS 76 N -0.01 0.42 0.00 0.20 2.10 -0.55 1.72 116.57 120.44 1ugo h LYS 76 Ca 0.01 -0.03 -0.04 0.00 -2.00 0.00 0.00 60.65 58.60 1ugo h LYS 76 Cb 0.04 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.27 1ugo h LYS 76 CO -0.07 0.28 -0.18 0.00 -2.00 0.00 0.00 179.45 177.48 1ugo h ARG 77 N 0.43 0.00 0.00 0.07 3.08 0.68 -2.22 114.38 116.41 1ugo h ARG 77 Ca 0.52 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.32 1ugo h ARG 77 Cb 1.28 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.28 1ugo h ARG 77 CO -0.23 0.18 -1.81 0.00 -1.07 0.00 0.00 179.97 177.04 1ugo n ALA 78 N -2.23 1.71 -0.08 0.04 0.00 0.51 -2.61 120.51 117.85 1ugo n ALA 78 Ca -0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 53.44 52.57 1ugo n ALA 78 Cb 0.37 -0.71 0.19 0.00 0.00 0.00 0.00 19.45 19.31 1ugo n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ugo h ALA 79 N 1.19 1.17 0.21 0.00 0.00 0.16 0.17 119.26 122.16 1ugo h ALA 79 Ca -0.30 -0.25 -0.35 0.00 0.00 0.00 0.00 54.91 54.01 1ugo h ALA 79 Cb 1.88 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 19.51 1ugo h ALA 79 CO 0.05 0.54 -1.66 1.96 0.00 0.00 0.00 179.25 180.14 1ugo h GLN 80 N 0.67 0.44 0.29 0.00 4.20 -1.55 -3.20 115.11 115.96 1ugo h GLN 80 Ca 0.13 -0.76 -0.00 0.00 0.06 0.00 0.00 58.65 58.08 1ugo h GLN 80 Cb 0.42 0.28 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 1ugo h GLN 80 CO 0.02 1.36 -0.25 0.93 -0.67 0.00 0.00 178.83 180.22 1ugo h GLU 81 N 0.12 -0.53 0.11 1.46 3.07 -1.34 0.16 114.58 117.62 1ugo h GLU 81 Ca -0.31 0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.59 1ugo h GLU 81 Cb 2.13 0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 30.11 1ugo h GLU 81 CO 0.21 -0.35 -0.48 1.15 -1.40 0.00 0.00 179.01 178.14 1ugo h THR 82 N -0.55 0.00 -0.76 1.13 2.02 -1.11 -1.46 112.91 112.17 1ugo h THR 82 Ca -0.02 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.33 1ugo h THR 82 Cb 0.50 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.80 1ugo h THR 82 CO -0.03 0.00 0.24 -0.33 0.37 0.00 0.00 175.52 175.77 1ugo h GLU 83 N -0.68 0.33 -0.46 6.66 4.39 -1.53 -1.75 114.58 121.54 1ugo h GLU 83 Ca -0.01 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.72 1ugo h GLU 83 Cb 0.68 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.19 1ugo h GLU 83 CO -0.26 0.22 -0.42 -0.09 -1.16 0.00 0.00 179.01 177.29 1ugo h ARG 84 N 0.34 -0.18 -0.30 2.33 2.43 0.38 0.14 114.38 119.52 1ugo h ARG 84 Ca 0.44 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.69 1ugo h ARG 84 Cb 0.74 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.26 1ugo h ARG 84 CO -0.48 -0.12 -0.20 -0.07 -1.51 0.00 0.00 179.97 177.59 1ugo h LEU 85 N -0.19 -0.65 -0.88 3.80 -0.00 -0.88 -0.30 115.31 116.22 1ugo h LEU 85 Ca 0.08 0.13 0.17 0.00 -0.00 0.00 0.00 57.88 58.26 1ugo h LEU 85 Cb 0.39 0.33 -0.16 0.00 -0.00 0.00 0.00 40.66 41.22 1ugo h LEU 85 CO -0.53 -0.23 -0.25 -0.07 -0.00 0.00 0.00 178.44 177.35 1ugo h LEU 86 N -0.17 -0.93 -0.03 1.67 3.38 -0.30 0.58 115.31 119.51 1ugo h LEU 86 Ca 0.16 0.27 0.03 0.00 0.09 0.00 0.00 57.88 58.42 1ugo h LEU 86 Cb 0.41 0.58 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1ugo h LEU 86 CO -0.40 -0.29 -0.14 0.11 0.09 0.00 0.00 178.44 177.81 1ugo h LYS 87 N -0.01 -0.21 -0.53 1.13 1.79 0.86 -2.49 116.57 117.11 1ugo h LYS 87 Ca 0.40 0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.98 1ugo h LYS 87 Cb 0.63 0.05 -0.11 0.00 -1.58 0.00 0.00 32.23 31.22 1ugo h LYS 87 CO -0.90 -0.14 -0.37 0.93 -1.08 0.00 0.00 179.45 177.89 1ugo h GLU 88 N -0.22 -0.20 -0.52 3.15 4.39 0.11 -1.57 114.58 119.71 1ugo h GLU 88 Ca 0.06 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.82 1ugo h GLU 88 Cb 0.29 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.93 1ugo h GLU 88 CO -0.15 -0.14 -0.31 -0.11 -1.16 0.00 0.00 179.01 177.14 1ugo n LEU 89 N -5.42 -0.55 -0.30 1.33 7.94 -0.03 0.19 117.00 120.15 1ugo n LEU 89 Ca 0.02 1.38 0.25 0.00 -1.11 0.00 0.00 56.01 56.55 1ugo n LEU 89 Cb 0.35 -0.35 0.46 0.00 0.53 0.00 0.00 43.42 44.42 1ugo n LEU 89 CO 0.02 -0.98 0.90 -0.62 -1.11 0.00 0.00 177.39 175.60 1ugo n GLU 90 N -4.18 -0.06 -0.02 1.96 1.02 -0.61 0.18 120.64 118.94 1ugo n GLU 90 Ca 0.01 1.30 -0.01 0.00 -0.02 0.00 0.00 57.16 58.44 1ugo n GLU 90 Cb 0.14 -2.26 -0.00 0.00 -0.02 0.00 0.00 31.44 29.30 1ugo n GLU 90 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ugo h GLN 91 N 0.00 -0.06 -1.27 3.49 4.20 0.16 -3.31 115.11 118.32 1ugo h GLN 91 Ca 0.72 0.00 0.39 0.00 0.06 0.00 0.00 58.65 59.82 1ugo h GLN 91 Cb 1.80 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 29.48 1ugo h GLN 91 CO -0.76 -0.04 0.84 -0.91 -0.67 0.00 0.00 178.83 177.29 1ugo h ASN 92 N -0.94 0.26 0.00 1.46 2.35 0.41 -1.74 115.58 117.37 1ugo h ASN 92 Ca -0.01 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1ugo h ASN 92 Cb 0.05 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1ugo h ASN 92 CO 0.01 -0.07 0.00 0.00 -1.65 0.00 0.00 177.43 175.72 1ugo n ALA 93 N -2.56 -0.05 0.00 -0.83 0.00 0.49 -4.51 120.51 113.05 1ugo n ALA 93 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1ugo n ALA 93 Cb 1.30 0.29 0.00 0.00 0.00 0.00 0.00 19.45 21.04 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 -1.77 0.00 -4.88 0.00 2.88 -0.65 -3.14 113.62 106.06 1ugo n SER 94 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1ugo n SER 94 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 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 -0.82 1.64 0.67 0.46 0.00 -1.26 -5.04 107.32 102.97 1ugo s GLY 95 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 44.72 44.43 1ugo s GLY 95 CO 0.00 0.08 1.06 2.56 0.00 0.00 0.00 173.10 176.80 1ugo s PRO 96 N -5.04 3.04 0.08 2.90 0.04 -1.26 -4.11 135.00 130.64 1ugo s PRO 96 Ca 0.53 1.00 -0.35 0.00 0.04 0.00 0.00 61.00 62.23 1ugo s PRO 96 Cb -0.11 -2.00 -0.18 0.00 0.04 0.00 0.00 34.50 32.25 1ugo s PRO 96 CO 0.51 -1.02 1.59 1.03 0.04 0.00 0.00 177.00 179.15 1ugo h SER 97 N -0.47 -1.06 0.00 6.66 0.87 -1.93 -3.46 113.55 114.17 1ugo h SER 97 Ca -0.44 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1ugo h SER 97 Cb 1.21 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 1ugo h SER 97 CO 0.57 -0.65 0.00 -1.54 -0.53 0.00 0.00 176.83 174.68 1ugo n SER 98 N -5.55 -0.64 0.00 6.23 3.41 -1.26 -5.03 113.62 110.78 1ugo n SER 98 Ca -0.13 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1ugo n SER 98 Cb 0.44 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 1ugo n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49