#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 -7.24 -1.37 1.61 7.64 -1.26 -4.99 113.62 108.01 1ugo n SER 2 Ca 0.00 0.96 0.14 0.00 1.01 0.00 0.00 58.87 60.98 1ugo n SER 2 Cb 0.00 -3.32 -0.08 0.00 -1.01 0.00 0.00 64.21 59.80 1ugo n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ugo n SER 3 N 0.05 -7.44 -0.39 6.43 7.64 -1.26 -5.02 113.62 113.64 1ugo n SER 3 Ca 0.00 1.44 0.00 0.00 1.01 0.00 0.00 58.87 61.32 1ugo n SER 3 Cb 0.00 -4.69 0.00 0.00 -1.01 0.00 0.00 64.21 58.51 1ugo n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugo n GLY 4 N -3.98 0.72 2.76 0.23 0.00 -1.26 -5.10 105.19 98.57 1ugo n GLY 4 Ca -0.08 -0.64 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.13 -0.89 -0.11 1.61 0.15 -1.26 -5.13 113.70 105.95 1ugo s SER 5 Ca 0.00 -1.82 -0.08 0.00 0.70 0.00 0.00 55.95 54.75 1ugo s SER 5 Cb 0.00 1.48 0.03 0.00 -1.71 0.00 0.00 66.02 65.82 1ugo s SER 5 CO 0.00 -0.09 0.27 -0.55 1.20 0.00 0.00 173.24 174.07 1ugo s SER 6 N 0.90 -0.29 -0.30 5.45 0.15 -1.26 -5.12 113.70 113.22 1ugo s SER 6 Ca 0.28 0.56 -0.02 0.00 0.70 0.00 0.00 55.95 57.47 1ugo s SER 6 Cb -0.01 0.52 0.12 0.00 -1.71 0.00 0.00 66.02 64.94 1ugo s SER 6 CO -0.07 -0.12 0.20 -0.83 1.20 0.00 0.00 173.24 173.62 1ugo s GLY 7 N 0.53 0.35 -0.27 9.45 0.00 -1.26 -5.10 107.32 111.02 1ugo s GLY 7 Ca -0.03 -1.00 -0.11 0.00 0.00 0.00 0.00 44.72 43.58 1ugo s GLY 7 CO -0.03 2.26 0.60 -0.29 0.00 0.00 0.00 173.10 175.64 1ugo s MET 8 N 1.97 0.54 -0.21 2.90 0.00 -1.26 -5.06 119.30 118.19 1ugo s MET 8 Ca 0.11 1.29 -0.16 0.00 0.00 0.00 0.00 55.69 56.92 1ugo s MET 8 Cb -0.16 0.57 -0.08 0.00 0.00 0.00 0.00 34.83 35.15 1ugo s MET 8 CO -0.28 -0.20 -0.33 -0.25 0.00 0.00 0.00 175.02 173.96 1ugo n ASP 9 N 5.14 1.94 -1.38 1.11 9.92 -1.26 -5.11 116.55 126.90 1ugo n ASP 9 Ca -0.14 0.35 0.17 0.00 -0.53 0.00 0.00 54.79 54.65 1ugo n ASP 9 Cb 0.51 -0.78 -0.07 0.00 -0.64 0.00 0.00 41.12 40.14 1ugo n ASP 9 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1ugo n MET 10 N -4.40 -3.06 0.00 -1.24 2.81 -1.26 -4.92 117.12 105.05 1ugo n MET 10 Ca -0.28 2.36 0.00 0.00 -1.81 0.00 0.00 57.70 57.96 1ugo n MET 10 Cb 0.64 -3.63 0.00 0.00 -0.71 0.00 0.00 33.22 29.52 1ugo n MET 10 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ugo n GLY 11 N -4.24 1.70 3.69 3.03 0.00 -1.26 -4.84 105.19 103.26 1ugo n GLY 11 Ca -0.05 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.44 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 2.96 -4.55 1.61 4.13 -1.26 -4.82 115.26 113.33 1ugo n ASN 12 Ca 0.00 1.01 -0.39 0.00 1.68 0.00 0.00 54.58 56.89 1ugo n ASN 12 Cb 0.00 -1.26 -0.03 0.00 -1.54 0.00 0.00 39.78 36.95 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 3.89 2.69 0.32 3.52 0.74 -1.26 -4.93 119.66 124.63 1ugo s GLN 13 Ca 0.96 0.48 -0.25 0.00 0.05 0.00 0.00 55.36 56.60 1ugo s GLN 13 Cb -0.87 -4.38 -0.15 0.00 1.10 0.00 0.00 33.01 28.72 1ugo s GLN 13 CO 0.58 -2.68 0.59 1.58 -0.55 0.00 0.00 175.29 174.82 1ugo n HIS 14 N 12.37 -0.27 0.21 1.67 -0.00 -1.26 -4.75 115.22 123.18 1ugo n HIS 14 Ca 0.19 0.74 0.09 0.00 -0.00 0.00 0.00 57.72 58.74 1ugo n HIS 14 Cb 0.52 -2.02 0.32 0.00 -0.00 0.00 0.00 29.99 28.81 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 1.08 0.00 0.00 1.57 0.13 -2.00 -0.91 132.00 131.88 1ugo h PRO 15 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 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 0.55 0.23 -0.50 0.77 -0.23 0.00 0.00 178.00 178.81 1ugo h SER 16 N 0.00 0.00 0.00 1.44 0.02 -1.88 -3.27 113.55 109.86 1ugo h SER 16 Ca -0.00 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.75 1ugo h SER 16 Cb 0.93 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 1ugo h SER 16 CO 0.03 0.05 -0.85 0.40 -1.14 0.00 0.00 176.83 175.32 1ugo h ILE 17 N 0.00 0.42 -1.30 3.27 1.08 -1.85 -3.33 117.51 115.81 1ugo h ILE 17 Ca 0.00 -1.54 0.39 0.00 -0.39 0.00 0.00 64.86 63.32 1ugo h ILE 17 Cb 0.85 1.02 -0.10 0.00 -3.07 0.00 0.00 36.82 35.52 1ugo h ILE 17 CO 0.00 0.14 0.87 -1.28 -0.69 0.00 0.00 178.15 177.19 1ugo h SER 18 N -1.00 0.22 0.72 1.72 0.87 -1.32 0.26 113.55 115.02 1ugo h SER 18 Ca -0.16 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.45 1ugo h SER 18 Cb 0.87 0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.89 1ugo h SER 18 CO -0.10 -0.06 -0.35 -0.09 -0.53 0.00 0.00 176.83 175.71 1ugo h ARG 19 N 0.14 -0.93 -0.03 2.24 9.65 -1.71 0.06 114.38 123.80 1ugo h ARG 19 Ca 0.73 0.06 0.01 0.00 -1.10 0.00 0.00 59.98 59.68 1ugo h ARG 19 Cb 2.38 0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 31.17 1ugo h ARG 19 CO -0.27 -0.60 0.18 -0.07 2.80 0.00 0.00 179.97 182.01 1ugo h LEU 20 N -1.05 0.00 0.00 3.80 3.38 -0.65 1.13 115.31 121.92 1ugo h LEU 20 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ugo h LEU 20 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1ugo h LEU 20 CO 0.16 0.00 -0.50 1.56 0.09 0.00 0.00 178.44 179.75 1ugo h GLN 21 N 0.00 0.00 0.00 1.13 4.20 -0.29 -1.24 115.11 118.91 1ugo h GLN 21 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1ugo h GLN 21 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1ugo h GLN 21 CO -0.00 0.00 -1.54 0.39 -0.67 0.00 0.00 178.83 177.01 1ugo n GLU 22 N -2.31 0.40 -0.11 1.46 -0.58 0.36 -3.81 120.64 116.06 1ugo n GLU 22 Ca 0.03 -0.11 -0.22 0.00 -0.42 0.00 0.00 57.16 56.45 1ugo n GLU 22 Cb 0.46 -1.53 -0.12 0.00 -0.57 0.00 0.00 31.44 29.69 1ugo n GLU 22 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1ugo n ILE 23 N -1.98 1.55 -0.28 -3.67 5.41 0.35 -3.93 119.36 116.81 1ugo n ILE 23 Ca -0.01 -0.49 -0.02 0.00 1.00 0.00 0.00 62.75 63.23 1ugo n ILE 23 Cb 0.47 -1.64 0.10 0.00 -0.71 0.00 0.00 39.64 37.86 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 -0.33 0.92 0.00 0.38 4.20 -1.43 0.17 115.11 119.03 1ugo h GLN 24 Ca -0.57 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.06 1ugo h GLN 24 Cb 1.80 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 29.37 1ugo h GLN 24 CO -0.16 0.61 -0.15 0.07 -0.67 0.00 0.00 178.83 178.54 1ugo h ARG 25 N 0.95 0.00 0.35 1.46 0.11 -1.76 -0.68 114.38 114.80 1ugo h ARG 25 Ca 0.32 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.38 1ugo h ARG 25 Cb 0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.12 1ugo h ARG 25 CO -0.12 0.15 -0.17 0.93 0.10 0.00 0.00 179.97 180.86 1ugo h GLU 26 N 0.00 -0.45 -0.58 0.08 4.39 -1.14 0.18 114.58 117.06 1ugo h GLU 26 Ca -0.00 0.03 0.17 0.00 0.34 0.00 0.00 59.36 59.90 1ugo h GLU 26 Cb 0.30 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 1ugo h GLU 26 CO 0.02 -0.30 0.44 -0.39 -1.16 0.00 0.00 179.01 177.62 1ugo h VAL 27 N -1.02 0.64 0.00 3.13 -1.51 -1.13 0.25 116.25 116.61 1ugo h VAL 27 Ca -0.05 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.29 1ugo h VAL 27 Cb 0.36 0.69 0.01 0.00 -2.13 0.00 0.00 31.29 30.22 1ugo h VAL 27 CO 0.08 0.00 -0.51 0.11 -1.23 0.00 0.00 177.57 176.02 1ugo h LYS 28 N 0.00 0.34 0.00 5.19 1.79 -1.11 1.40 116.57 124.18 1ugo h LYS 28 Ca 0.28 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1ugo h LYS 28 Cb 1.15 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1ugo h LYS 28 CO -0.00 1.06 0.00 0.00 -1.08 0.00 0.00 179.45 179.42 1ugo n ALA 29 N -2.57 1.50 -0.03 3.86 0.00 0.63 -1.20 120.51 122.69 1ugo n ALA 29 Ca -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1ugo n ALA 29 Cb 0.63 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.56 0.00 -0.22 0.00 -6.64 0.59 -4.69 119.36 106.84 1ugo n ILE 30 Ca 0.03 -0.48 -0.00 0.00 -1.77 0.00 0.00 62.75 60.52 1ugo n ILE 30 Cb 0.13 1.03 0.11 0.00 -1.44 0.00 0.00 39.64 39.48 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 0.00 0.56 0.00 6.28 4.81 0.34 0.53 114.58 127.10 1ugo h GLU 31 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1ugo h GLU 31 Cb 0.02 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1ugo h GLU 31 CO 0.00 0.37 -0.00 -1.00 -0.73 0.00 0.00 179.01 177.65 1ugo h PRO 32 N 0.57 0.00 0.00 0.92 0.13 -1.83 -1.96 132.00 129.83 1ugo h PRO 32 Ca 0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 1ugo h PRO 32 Cb 0.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.43 1ugo h PRO 32 CO -0.24 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 179.49 1ugo h GLN 33 N 0.00 0.00 0.00 0.86 4.20 -1.18 0.21 115.11 119.20 1ugo h GLN 33 Ca -0.00 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.30 1ugo h GLN 33 Cb 0.75 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.47 1ugo h GLN 33 CO 0.00 0.00 -2.44 0.28 -0.67 0.00 0.00 178.83 176.00 1ugo n VAL 34 N -2.97 1.44 -0.22 -0.54 0.31 -0.98 -3.42 118.33 111.94 1ugo n VAL 34 Ca 0.01 -0.46 -0.03 0.00 -0.01 0.00 0.00 64.34 63.85 1ugo n VAL 34 Cb 0.30 -1.61 0.15 0.00 -0.91 0.00 0.00 33.84 31.77 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 -0.47 1.23 -0.76 2.52 2.07 -1.34 -1.85 116.25 117.66 1ugo h VAL 35 Ca -0.61 -0.71 -0.30 0.00 0.82 0.00 0.00 66.70 65.90 1ugo h VAL 35 Cb 1.73 0.37 -0.18 0.00 -1.52 0.00 0.00 31.29 31.69 1ugo h VAL 35 CO -0.24 0.29 0.35 0.61 0.02 0.00 0.00 177.57 178.59 1ugo n GLY 36 N -1.01 4.09 3.84 2.17 0.00 0.74 -4.98 105.19 110.04 1ugo n GLY 36 Ca 0.06 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.12 3.42 -0.29 1.61 5.36 -0.69 -4.92 117.98 119.34 1ugo s PHE 37 Ca 0.54 1.44 0.02 0.00 -0.96 0.00 0.00 56.93 57.97 1ugo s PHE 37 Cb 0.45 -2.81 0.16 0.00 -0.34 0.00 0.00 43.02 40.48 1ugo s PHE 37 CO 0.11 -0.54 0.42 -1.12 -1.46 0.00 0.00 175.22 172.64 1ugo s SER 38 N -3.24 0.21 0.00 6.13 0.01 -1.26 -4.70 113.70 110.84 1ugo s SER 38 Ca 0.59 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.53 1ugo s SER 38 Cb -0.11 1.19 0.00 0.00 0.21 0.00 0.00 66.02 67.31 1ugo s SER 38 CO 0.36 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.28 1ugo n GLY 39 N 5.36 3.07 3.14 3.44 0.00 -1.20 -5.04 105.19 113.96 1ugo n GLY 39 Ca 0.01 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.35 -2.15 0.99 7.99 -1.26 -4.14 117.00 116.08 1ugo n LEU 40 Ca 0.00 -0.14 -0.21 0.00 -0.01 0.00 0.00 56.01 55.65 1ugo n LEU 40 Cb 0.00 -0.78 -0.01 0.00 -0.11 0.00 0.00 43.42 42.52 1ugo n LEU 40 CO 0.00 -2.91 1.39 -1.20 -1.51 0.00 0.00 177.39 173.16 1ugo n SER 41 N -0.08 6.43 0.00 -1.43 7.64 -1.26 -3.95 113.62 120.97 1ugo n SER 41 Ca 0.01 -3.10 0.00 0.00 1.01 0.00 0.00 58.87 56.78 1ugo n SER 41 Cb 0.59 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1ugo n SER 41 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ugo n ASP 42 N 0.65 0.00 -4.39 6.43 2.03 -1.26 -4.97 116.55 115.04 1ugo n ASP 42 Ca 0.39 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.46 1ugo n ASP 42 Cb 0.58 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.89 1ugo n ASP 42 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ugo s ASP 43 N 0.00 2.71 -1.08 1.67 2.15 -1.25 -5.02 116.67 115.85 1ugo s ASP 43 Ca 0.00 -1.49 -0.09 0.00 0.43 0.00 0.00 52.55 51.40 1ugo s ASP 43 Cb 0.00 0.13 -0.07 0.00 -0.30 0.00 0.00 42.92 42.68 1ugo s ASP 43 CO 0.00 -0.72 2.27 1.17 -0.17 0.00 0.00 175.17 177.72 1ugo n LYS 44 N -0.81 2.39 0.00 4.34 3.00 -1.26 -2.55 118.16 123.27 1ugo n LYS 44 Ca -0.05 -1.72 0.00 0.00 -0.00 0.00 0.00 58.31 56.54 1ugo n LYS 44 Cb 0.66 -2.63 0.00 0.00 0.00 0.00 0.00 35.03 33.06 1ugo n LYS 44 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1ugo n ASN 45 N 4.59 0.00 -0.02 3.14 5.15 -1.26 -4.98 115.26 121.88 1ugo n ASN 45 Ca 0.53 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 54.41 1ugo n ASN 45 Cb 0.20 0.05 -0.04 0.00 -0.53 0.00 0.00 39.78 39.46 1ugo n ASN 45 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1ugo h TYR 46 N 0.00 -0.00 -0.45 1.20 3.20 -1.75 -1.79 116.97 117.37 1ugo h TYR 46 Ca 0.00 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.97 1ugo h TYR 46 Cb 0.00 0.02 -0.10 0.00 1.54 0.00 0.00 36.73 38.20 1ugo h TYR 46 CO 0.00 -0.02 -0.29 0.87 -1.64 0.00 0.00 178.16 177.09 1ugo h LYS 47 N 0.05 -0.19 0.18 1.82 1.79 -1.92 0.14 116.57 118.44 1ugo h LYS 47 Ca 0.06 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.55 1ugo h LYS 47 Cb 0.08 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.73 1ugo h LYS 47 CO -0.11 -0.12 -0.47 -0.09 -1.08 0.00 0.00 179.45 177.57 1ugo h ARG 48 N -0.19 -0.70 -0.29 3.15 2.43 -1.77 1.22 114.38 118.22 1ugo h ARG 48 Ca 0.20 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.45 1ugo h ARG 48 Cb 0.52 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.18 1ugo h ARG 48 CO -0.56 -0.47 -0.31 -0.07 -1.51 0.00 0.00 179.97 177.05 1ugo h LEU 49 N -0.73 -1.07 -0.73 3.80 3.38 -0.52 0.31 115.31 119.76 1ugo h LEU 49 Ca -0.02 0.14 0.14 0.00 0.09 0.00 0.00 57.88 58.24 1ugo h LEU 49 Cb 0.70 0.44 -0.10 0.00 0.09 0.00 0.00 40.66 41.80 1ugo h LEU 49 CO -0.22 -0.20 0.27 -0.08 0.09 0.00 0.00 178.44 178.30 1ugo h GLU 50 N -0.18 0.39 -0.91 1.13 4.81 -0.51 0.15 114.58 119.46 1ugo h GLU 50 Ca 0.05 -0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.41 1ugo h GLU 50 Cb 0.31 -0.09 -0.10 0.00 0.63 0.00 0.00 28.75 29.50 1ugo h GLU 50 CO -0.37 0.26 0.51 0.00 -0.73 0.00 0.00 179.01 178.68 1ugo h ARG 51 N 0.40 0.70 0.94 1.92 3.08 0.41 1.12 114.38 122.96 1ugo h ARG 51 Ca 0.40 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.36 1ugo h ARG 51 Cb 0.62 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.52 1ugo h ARG 51 CO -0.41 0.46 -0.45 0.82 -1.07 0.00 0.00 179.97 179.31 1ugo h ILE 52 N 0.72 0.04 0.31 2.04 2.04 0.24 1.36 117.51 124.25 1ugo h ILE 52 Ca 0.50 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.32 1ugo h ILE 52 Cb 0.69 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1ugo h ILE 52 CO -0.35 0.00 -0.33 -0.07 0.00 0.00 0.00 178.15 177.40 1ugo h LEU 53 N -1.31 -0.91 -0.69 1.44 3.38 -0.75 1.47 115.31 117.93 1ugo h LEU 53 Ca -0.13 0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.02 1ugo h LEU 53 Cb 0.97 0.31 -0.08 0.00 0.09 0.00 0.00 40.66 41.96 1ugo h LEU 53 CO 0.21 -0.47 0.31 0.00 0.09 0.00 0.00 178.44 178.59 1ugo h THR 54 N -0.68 0.79 0.24 0.22 1.03 0.13 1.07 112.91 115.72 1ugo h THR 54 Ca -0.01 -0.18 -0.01 0.00 -0.01 0.00 0.00 66.41 66.20 1ugo h THR 54 Cb 0.63 0.23 0.00 0.00 -1.07 0.00 0.00 68.15 67.94 1ugo h THR 54 CO -0.08 0.09 -0.12 0.50 -0.01 0.00 0.00 175.52 175.91 1ugo h LYS 55 N 0.52 -0.32 -0.29 0.00 1.63 0.25 -0.70 116.57 117.66 1ugo h LYS 55 Ca 0.35 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.22 1ugo h LYS 55 Cb 0.42 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.07 1ugo h LYS 55 CO -0.30 -0.05 0.00 1.96 -3.45 0.00 0.00 179.45 177.62 1ugo h GLN 56 N -0.57 0.09 -0.08 1.90 1.08 0.27 -2.06 115.11 115.75 1ugo h GLN 56 Ca -0.03 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.20 1ugo h GLN 56 Cb 0.42 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.77 1ugo h GLN 56 CO 0.05 0.06 -0.27 1.25 -0.95 0.00 0.00 178.83 178.98 1ugo h LEU 57 N 0.09 -0.81 -1.85 1.46 7.12 0.12 0.25 115.31 121.69 1ugo h LEU 57 Ca 0.14 0.12 0.19 0.00 0.13 0.00 0.00 57.88 58.46 1ugo h LEU 57 Cb 0.18 0.35 -0.03 0.00 -0.53 0.00 0.00 40.66 40.63 1ugo h LEU 57 CO -0.23 -0.32 0.63 0.15 -0.13 0.00 0.00 178.44 178.54 1ugo h PHE 58 N -0.37 0.00 0.01 1.25 3.04 -0.56 1.06 116.94 121.38 1ugo h PHE 58 Ca 0.08 0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.82 1ugo h PHE 58 Cb 0.49 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.97 1ugo h PHE 58 CO -0.34 0.00 -1.01 0.93 -2.02 0.00 0.00 178.31 175.88 1ugo h GLU 59 N 0.00 0.02 -0.35 1.11 4.39 0.10 -3.07 114.58 116.78 1ugo h GLU 59 Ca 0.31 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.94 1ugo h GLU 59 Cb 1.57 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.21 1ugo h GLU 59 CO -0.00 1.01 0.06 0.82 -1.16 0.00 0.00 179.01 179.74 1ugo h ILE 60 N 0.01 1.23 0.00 3.13 2.04 0.23 -0.92 117.51 123.23 1ugo h ILE 60 Ca -0.02 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1ugo h ILE 60 Cb 1.77 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1ugo h ILE 60 CO 0.13 0.27 0.00 -0.67 0.00 0.00 0.00 178.15 177.89 1ugo n ASP 61 N -4.59 0.00 -0.07 1.72 -0.08 -0.82 -3.12 116.55 109.59 1ugo n ASP 61 Ca -0.01 -0.11 -0.08 0.00 -1.51 0.00 0.00 54.79 53.08 1ugo n ASP 61 Cb 0.22 -0.23 -0.05 0.00 2.34 0.00 0.00 41.12 43.39 1ugo n ASP 61 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1ugo h SER 62 N 0.00 0.00 -2.41 1.67 0.02 -1.09 -3.46 113.55 108.29 1ugo h SER 62 Ca 0.00 -0.27 -0.56 0.00 -0.84 0.00 0.00 61.79 60.12 1ugo h SER 62 Cb 0.15 0.00 0.06 0.00 0.14 0.00 0.00 62.40 62.75 1ugo h SER 62 CO 0.00 0.83 0.89 0.55 -1.14 0.00 0.00 176.83 177.96 1ugo n VAL 63 N -4.64 0.02 -2.18 2.27 3.14 -0.85 -4.97 118.33 111.12 1ugo n VAL 63 Ca -0.09 -0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.01 1ugo n VAL 63 Cb 0.28 -1.72 0.13 0.00 -1.06 0.00 0.00 33.84 31.47 1ugo n VAL 63 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1ugo s ASP 64 N 1.12 3.91 0.00 6.55 2.15 -1.26 -4.97 116.67 124.16 1ugo s ASP 64 Ca 0.78 0.15 0.00 0.00 0.43 0.00 0.00 52.55 53.91 1ugo s ASP 64 Cb -0.61 -0.44 0.00 0.00 -0.30 0.00 0.00 42.92 41.56 1ugo s ASP 64 CO 0.36 -2.19 0.00 0.35 -0.17 0.00 0.00 175.17 173.52 1ugo n THR 65 N -3.29 0.00 -2.28 1.71 -2.24 -1.26 -4.78 114.28 102.14 1ugo n THR 65 Ca 0.13 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.90 1ugo n THR 65 Cb 0.60 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.30 -0.31 -3.90 -0.78 2.13 -1.26 -4.12 120.64 110.11 1ugo n GLU 66 Ca 0.00 0.04 -0.34 0.00 0.66 0.00 0.00 57.16 57.51 1ugo n GLU 66 Cb 0.23 -2.64 0.01 0.00 0.27 0.00 0.00 31.44 29.31 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 -0.81 -0.87 0.04 8.31 0.00 -1.26 -4.85 105.19 105.75 1ugo n GLY 67 Ca -0.01 0.37 -0.05 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.76 2.00 0.00 1.61 5.02 -1.26 -5.05 118.16 116.72 1ugo n LYS 68 Ca -0.16 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1ugo n LYS 68 Cb 0.53 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 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 2.67 2.23 0.37 0.72 0.00 -1.26 -4.77 105.19 105.15 1ugo n GLY 69 Ca -0.14 -0.59 0.02 0.00 0.00 0.00 0.00 46.02 45.32 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 3.53 -0.50 0.04 1.61 8.00 -1.26 0.24 116.55 128.21 1ugo n ASP 70 Ca 0.00 1.72 -0.09 0.00 0.71 0.00 0.00 54.79 57.13 1ugo n ASP 70 Cb 0.00 -0.45 -0.06 0.00 -0.02 0.00 0.00 41.12 40.58 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 0.66 -0.81 0.53 2.04 -1.91 -2.97 117.51 115.05 1ugo h ILE 71 Ca 0.41 -1.18 0.12 0.00 1.00 0.00 0.00 64.86 65.21 1ugo h ILE 71 Cb 0.66 1.16 -0.13 0.00 -0.74 0.00 0.00 36.82 37.76 1ugo h ILE 71 CO -1.00 0.19 -0.40 -0.61 0.00 0.00 0.00 178.15 176.33 1ugo h GLN 72 N -0.95 -0.08 -0.93 2.37 -0.00 -1.48 0.99 115.11 115.02 1ugo h GLN 72 Ca -0.02 0.01 0.14 0.00 -0.00 0.00 0.00 58.65 58.78 1ugo h GLN 72 Cb 0.46 0.02 -0.09 0.00 0.00 0.00 0.00 27.48 27.87 1ugo h GLN 72 CO 0.03 -0.06 0.55 0.37 0.00 0.00 0.00 178.83 179.73 1ugo h GLN 73 N -0.09 0.78 0.22 1.69 4.15 0.30 0.11 115.11 122.27 1ugo h GLN 73 Ca 0.27 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.63 1ugo h GLN 73 Cb 0.56 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.08 1ugo h GLN 73 CO -0.85 0.52 -0.10 0.00 -1.93 0.00 0.00 178.83 176.47 1ugo h ALA 74 N 1.56 -0.72 -0.95 3.38 0.00 0.84 0.15 119.26 123.52 1ugo h ALA 74 Ca 0.49 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.45 1ugo h ALA 74 Cb 0.61 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.39 1ugo h ALA 74 CO -0.32 -0.70 -0.49 -2.13 0.00 0.00 0.00 179.25 175.61 1ugo n ARG 75 N -3.10 -0.35 -0.29 0.00 0.63 0.21 0.23 116.66 113.99 1ugo n ARG 75 Ca -0.04 1.45 -0.01 0.00 -0.92 0.00 0.00 57.85 58.33 1ugo n ARG 75 Cb 0.11 -2.13 0.12 0.00 0.45 0.00 0.00 32.46 31.01 1ugo n ARG 75 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 1ugo h LYS 76 N 0.00 0.90 -0.41 -0.14 2.10 -0.85 0.25 116.57 118.42 1ugo h LYS 76 Ca 0.22 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 58.80 1ugo h LYS 76 Cb 0.45 -0.20 -0.02 0.00 -0.90 0.00 0.00 32.23 31.56 1ugo h LYS 76 CO -0.91 0.60 0.19 0.00 -2.00 0.00 0.00 179.45 177.33 1ugo h ARG 77 N 0.93 0.59 -0.79 0.07 2.47 0.45 -2.09 114.38 116.01 1ugo h ARG 77 Ca 0.34 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.95 1ugo h ARG 77 Cb 0.12 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.30 1ugo h ARG 77 CO -0.15 0.52 0.40 0.00 0.56 0.00 0.00 179.97 181.30 1ugo h ALA 78 N 1.04 1.01 -0.83 0.04 0.00 0.37 -0.62 119.26 120.27 1ugo h ALA 78 Ca 0.14 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1ugo h ALA 78 Cb 0.13 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 1ugo h ALA 78 CO -0.02 0.55 0.54 0.00 0.00 0.00 0.00 179.25 180.33 1ugo h ALA 79 N 1.21 1.75 -0.14 0.00 0.00 -0.09 0.52 119.26 122.51 1ugo h ALA 79 Ca 0.27 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.98 1ugo h ALA 79 Cb 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ugo h ALA 79 CO -0.04 0.07 -0.73 1.96 0.00 0.00 0.00 179.25 180.51 1ugo h GLN 80 N 0.76 0.65 0.59 0.00 4.20 -0.60 -1.25 115.11 119.46 1ugo h GLN 80 Ca 0.39 -0.51 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 1ugo h GLN 80 Cb 0.49 0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.37 1ugo h GLN 80 CO -0.16 1.13 -0.29 1.49 -0.67 0.00 0.00 178.83 180.34 1ugo h GLU 81 N 0.45 -0.77 -0.79 1.46 4.81 0.47 -0.69 114.58 119.51 1ugo h GLU 81 Ca -0.04 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.34 1ugo h GLU 81 Cb 1.33 0.17 -0.07 0.00 0.63 0.00 0.00 28.75 30.81 1ugo h GLU 81 CO 0.14 -0.48 0.44 1.15 -0.73 0.00 0.00 179.01 179.53 1ugo h THR 82 N -1.14 0.89 0.00 0.32 2.02 -0.15 0.34 112.91 115.19 1ugo h THR 82 Ca -0.08 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1ugo h THR 82 Cb 0.65 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1ugo h THR 82 CO 0.13 0.13 -0.04 -0.33 0.37 0.00 0.00 175.52 175.79 1ugo h GLU 83 N 0.74 0.00 -0.01 6.66 4.39 -1.22 -2.63 114.58 122.51 1ugo h GLU 83 Ca 0.38 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.08 1ugo h GLU 83 Cb 0.36 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1ugo h GLU 83 CO -0.25 0.04 -0.01 -0.09 -1.16 0.00 0.00 179.01 177.54 1ugo h ARG 84 N 0.00 0.03 0.08 2.33 2.43 0.13 -2.90 114.38 116.47 1ugo h ARG 84 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ugo h ARG 84 Cb 0.35 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1ugo h ARG 84 CO 0.00 0.49 -0.08 -0.07 -1.51 0.00 0.00 179.97 178.81 1ugo h LEU 85 N -0.43 -0.20 -1.00 3.80 3.38 -1.16 -1.49 115.31 118.20 1ugo h LEU 85 Ca 0.00 0.02 0.34 0.00 0.09 0.00 0.00 57.88 58.33 1ugo h LEU 85 Cb 0.48 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 41.15 1ugo h LEU 85 CO 0.00 -0.12 0.55 -0.07 0.09 0.00 0.00 178.44 178.89 1ugo h LEU 86 N -0.17 0.45 -0.39 1.67 3.38 -1.51 1.43 115.31 120.17 1ugo h LEU 86 Ca 0.01 0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1ugo h LEU 86 Cb 0.17 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1ugo h LEU 86 CO -0.02 -0.19 0.08 0.11 0.09 0.00 0.00 178.44 178.50 1ugo h LYS 87 N 0.26 0.64 -0.33 1.13 1.57 -1.08 -2.86 116.57 115.90 1ugo h LYS 87 Ca 0.75 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 59.37 1ugo h LYS 87 Cb 1.75 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.96 1ugo h LYS 87 CO -0.64 0.68 0.21 0.93 -0.57 0.00 0.00 179.45 180.06 1ugo h GLU 88 N 0.49 0.41 -0.27 3.15 4.39 0.24 -2.93 114.58 120.07 1ugo h GLU 88 Ca 0.12 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.83 1ugo h GLU 88 Cb 0.34 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 1ugo h GLU 88 CO 0.00 0.27 -0.35 1.25 -1.16 0.00 0.00 179.01 179.03 1ugo h LEU 89 N 0.43 -1.16 -0.85 1.33 5.85 -0.39 1.43 115.31 121.95 1ugo h LEU 89 Ca 0.13 0.15 0.08 0.00 0.84 0.00 0.00 57.88 59.08 1ugo h LEU 89 Cb -0.03 0.48 -0.10 0.00 0.37 0.00 0.00 40.66 41.38 1ugo h LEU 89 CO -0.04 -0.25 -0.50 -0.62 -0.34 0.00 0.00 178.44 176.69 1ugo n GLU 90 N -4.35 -0.37 0.26 1.25 -0.58 -1.10 0.19 120.64 115.94 1ugo n GLU 90 Ca -0.02 1.39 -0.11 0.00 -0.42 0.00 0.00 57.16 58.00 1ugo n GLU 90 Cb 0.21 -2.04 -0.05 0.00 -0.57 0.00 0.00 31.44 28.98 1ugo n GLU 90 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1ugo h GLN 91 N 0.00 -0.66 -1.00 3.49 4.20 -1.13 -2.63 115.11 117.38 1ugo h GLN 91 Ca 0.14 0.05 0.34 0.00 0.06 0.00 0.00 58.65 59.23 1ugo h GLN 91 Cb 0.35 0.15 -0.18 0.00 0.30 0.00 0.00 27.48 28.10 1ugo h GLN 91 CO -0.80 -0.44 0.25 0.09 -0.67 0.00 0.00 178.83 177.26 1ugo n ASN 92 N -3.96 0.09 0.00 1.46 3.02 0.48 -1.36 115.26 115.00 1ugo n ASN 92 Ca -0.08 1.68 0.00 0.00 -0.03 0.00 0.00 54.58 56.14 1ugo n ASN 92 Cb 0.28 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 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 -2.76 0.00 0.00 5.41 0.00 0.50 -4.55 120.51 119.11 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 0.32 0.00 0.00 0.00 0.00 0.00 19.45 20.77 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 -1.60 0.00 -4.85 0.00 2.88 -0.46 -3.26 113.62 106.33 1ugo n SER 94 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 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 0.00 1.49 0.80 0.46 0.00 -1.25 -5.02 107.32 103.80 1ugo s GLY 95 Ca 0.00 -1.46 -0.12 0.00 0.00 0.00 0.00 44.72 43.14 1ugo s GLY 95 CO 0.00 -1.47 1.10 2.56 0.00 0.00 0.00 173.10 175.29 1ugo s PRO 96 N -3.90 2.04 0.24 2.90 0.04 -1.26 -3.64 135.00 131.41 1ugo s PRO 96 Ca 0.35 0.62 -0.15 0.00 0.04 0.00 0.00 61.00 61.86 1ugo s PRO 96 Cb -0.07 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 1ugo s PRO 96 CO 0.26 -1.65 0.66 0.45 0.04 0.00 0.00 177.00 176.76 1ugo s SER 97 N -3.92 6.83 0.06 6.66 0.15 -1.26 -4.88 113.70 117.34 1ugo s SER 97 Ca 0.61 1.21 -0.03 0.00 0.70 0.00 0.00 55.95 58.43 1ugo s SER 97 Cb -0.14 -2.34 -0.03 0.00 -1.71 0.00 0.00 66.02 61.80 1ugo s SER 97 CO 0.54 -0.06 0.04 -0.55 1.20 0.00 0.00 173.24 174.41 1ugo s SER 98 N -2.02 0.35 0.00 5.45 0.15 -1.26 -5.13 113.70 111.25 1ugo s SER 98 Ca 0.47 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1ugo s SER 98 Cb -0.13 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1ugo s SER 98 CO 0.19 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.64