#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 4.20 -0.16 1.61 0.01 -1.26 -5.04 113.70 113.06 1ugo s SER 2 Ca 0.00 -3.05 -0.03 0.00 1.31 0.00 0.00 55.95 54.18 1ugo s SER 2 Cb 0.00 -1.50 0.05 0.00 0.21 0.00 0.00 66.02 64.79 1ugo s SER 2 CO 0.00 -0.22 0.05 -0.44 0.41 0.00 0.00 173.24 173.04 1ugo s SER 3 N -0.31 2.38 -0.10 2.44 0.01 -1.26 -4.97 113.70 111.90 1ugo s SER 3 Ca 0.18 -0.57 -0.01 0.00 1.31 0.00 0.00 55.95 56.86 1ugo s SER 3 Cb -0.22 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.59 1ugo s SER 3 CO -0.02 -0.30 0.02 0.61 0.41 0.00 0.00 173.24 173.96 1ugo n GLY 4 N 5.16 -3.45 3.64 3.44 0.00 -1.26 -5.10 105.19 107.61 1ugo n GLY 4 Ca -0.08 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1ugo n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ugo s SER 5 N -0.47 -0.73 0.60 1.61 1.04 -1.26 -5.10 113.70 109.38 1ugo s SER 5 Ca -0.03 1.29 0.00 0.00 0.48 0.00 0.00 55.95 57.70 1ugo s SER 5 Cb 0.00 1.31 0.00 0.00 0.10 0.00 0.00 66.02 67.43 1ugo s SER 5 CO 0.27 -0.21 0.00 -1.20 0.98 0.00 0.00 173.24 173.08 1ugo n SER 6 N 3.27 -7.96 0.00 7.02 7.64 -1.26 -5.06 113.62 117.27 1ugo n SER 6 Ca -0.16 1.62 0.00 0.00 1.01 0.00 0.00 58.87 61.34 1ugo n SER 6 Cb 0.57 -4.93 0.00 0.00 -1.01 0.00 0.00 64.21 58.84 1ugo n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugo n GLY 7 N -3.55 -1.18 3.02 0.23 0.00 -1.26 -5.06 105.19 97.39 1ugo n GLY 7 Ca -0.05 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1ugo n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ugo n MET 8 N 0.00 -0.32 -3.79 1.61 0.00 -1.26 -5.00 117.12 108.35 1ugo n MET 8 Ca 0.00 0.76 -0.10 0.00 -0.00 0.00 0.00 57.70 58.35 1ugo n MET 8 Cb 0.00 -0.90 -0.07 0.00 0.00 0.00 0.00 33.22 32.24 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 -0.86 -0.03 -0.60 6.12 -4.77 -1.26 -5.08 116.67 110.19 1ugo s ASP 9 Ca 0.00 -0.37 -0.27 0.00 -3.30 0.00 0.00 52.55 48.61 1ugo s ASP 9 Cb 0.00 0.34 -0.10 0.00 -1.09 0.00 0.00 42.92 42.07 1ugo s ASP 9 CO 0.00 -0.65 2.47 0.80 0.70 0.00 0.00 175.17 178.49 1ugo n MET 10 N 0.37 0.81 0.00 2.11 1.56 -1.26 -4.34 117.12 116.38 1ugo n MET 10 Ca -0.18 -0.04 0.00 0.00 -0.27 0.00 0.00 57.70 57.21 1ugo n MET 10 Cb 0.60 -3.07 0.00 0.00 2.15 0.00 0.00 33.22 32.90 1ugo n MET 10 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1ugo n GLY 11 N 6.13 1.01 3.39 -5.12 0.00 -1.26 -4.91 105.19 104.43 1ugo n GLY 11 Ca 0.43 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 1ugo n GLY 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ugo s ASN 12 N -4.00 -0.55 -0.16 1.61 3.84 -1.26 -5.04 114.94 109.38 1ugo s ASN 12 Ca 0.00 1.01 -0.02 0.00 0.21 0.00 0.00 52.86 54.07 1ugo s ASN 12 Cb 0.00 0.99 0.01 0.00 -0.55 0.00 0.00 41.25 41.70 1ugo s ASN 12 CO 0.00 -0.18 0.04 1.67 -2.79 0.00 0.00 177.10 175.84 1ugo n GLN 13 N 3.18 -2.19 -1.47 0.43 7.27 -1.26 -4.90 117.38 118.44 1ugo n GLN 13 Ca -0.16 1.93 -0.44 0.00 0.07 0.00 0.00 57.00 58.40 1ugo n GLN 13 Cb 0.56 -3.50 -0.01 0.00 2.41 0.00 0.00 30.24 29.71 1ugo n GLN 13 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1ugo n HIS 14 N 0.55 -0.09 0.43 3.69 -0.00 -1.26 -4.73 115.22 113.81 1ugo n HIS 14 Ca -0.06 0.71 0.13 0.00 -0.00 0.00 0.00 57.72 58.50 1ugo n HIS 14 Cb 0.09 -2.04 0.45 0.00 -0.00 0.00 0.00 29.99 28.48 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 1.14 0.00 0.00 1.57 0.13 -1.94 -0.59 132.00 132.31 1ugo h PRO 15 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1ugo h PRO 15 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1ugo h PRO 15 CO 0.55 0.00 -0.94 0.45 -0.23 0.00 0.00 178.00 177.82 1ugo n SER 16 N -2.53 0.73 -0.09 1.44 2.88 -1.26 -3.55 113.62 111.24 1ugo n SER 16 Ca 0.03 0.15 -0.14 0.00 -1.33 0.00 0.00 58.87 57.59 1ugo n SER 16 Cb 0.36 0.50 -0.06 0.00 -0.75 0.00 0.00 64.21 64.26 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 -2.36 1.48 0.24 2.46 2.08 -1.02 -3.42 119.36 118.81 1ugo n ILE 17 Ca 0.01 0.06 0.17 0.00 0.56 0.00 0.00 62.75 63.54 1ugo n ILE 17 Cb 0.50 -2.21 0.75 0.00 -0.75 0.00 0.00 39.64 37.93 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 -1.00 0.00 0.08 4.38 0.87 -1.30 0.27 113.55 116.84 1ugo h SER 18 Ca -0.20 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.24 1ugo h SER 18 Cb 0.97 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.94 1ugo h SER 18 CO -0.12 0.00 -0.52 -0.09 -0.53 0.00 0.00 176.83 175.57 1ugo h ARG 19 N 0.00 0.21 -0.51 2.24 9.65 -1.71 -3.20 114.38 121.08 1ugo h ARG 19 Ca 0.08 -0.34 -0.02 0.00 -1.10 0.00 0.00 59.98 58.60 1ugo h ARG 19 Cb 0.92 0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.59 1ugo h ARG 19 CO -0.00 1.14 0.25 -0.07 2.80 0.00 0.00 179.97 184.08 1ugo h LEU 20 N -0.53 0.66 -1.54 3.80 3.38 -0.61 -1.65 115.31 118.81 1ugo h LEU 20 Ca -0.09 -0.13 0.21 0.00 0.09 0.00 0.00 57.88 57.97 1ugo h LEU 20 Cb 1.38 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 1ugo h LEU 20 CO 0.10 0.60 0.61 1.56 0.09 0.00 0.00 178.44 181.40 1ugo h GLN 21 N 0.67 0.36 0.00 1.13 4.20 -1.00 1.64 115.11 122.11 1ugo h GLN 21 Ca 0.17 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.67 1ugo h GLN 21 Cb 0.11 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1ugo h GLN 21 CO -0.02 0.24 -0.90 0.93 -0.67 0.00 0.00 178.83 178.41 1ugo h GLU 22 N 0.37 0.03 0.15 1.46 4.39 -1.33 -2.08 114.58 117.57 1ugo h GLU 22 Ca 0.48 -0.03 -0.29 0.00 0.34 0.00 0.00 59.36 59.85 1ugo h GLU 22 Cb 1.25 0.01 0.02 0.00 -0.10 0.00 0.00 28.75 29.93 1ugo h GLU 22 CO -0.17 0.90 -1.29 0.82 -1.16 0.00 0.00 179.01 178.12 1ugo h ILE 23 N 0.01 1.39 0.55 3.13 2.04 0.98 -3.13 117.51 122.49 1ugo h ILE 23 Ca -0.02 -2.81 -0.03 0.00 1.00 0.00 0.00 64.86 63.01 1ugo h ILE 23 Cb 1.58 2.89 0.01 0.00 -0.74 0.00 0.00 36.82 40.55 1ugo h ILE 23 CO 0.12 0.83 -0.27 1.56 0.00 0.00 0.00 178.15 180.40 1ugo h GLN 24 N 0.14 -0.72 -0.82 2.37 4.20 0.21 -1.79 115.11 118.70 1ugo h GLN 24 Ca -0.17 0.05 0.24 0.00 0.06 0.00 0.00 58.65 58.82 1ugo h GLN 24 Cb 1.98 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 29.90 1ugo h GLN 24 CO 0.23 -0.41 0.70 0.07 -0.67 0.00 0.00 178.83 178.75 1ugo h ARG 25 N -1.01 0.00 0.00 1.46 0.11 -1.50 0.54 114.38 113.97 1ugo h ARG 25 Ca -0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.00 1ugo h ARG 25 Cb 0.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 1ugo h ARG 25 CO 0.12 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.58 1ugo n GLU 26 N -3.92 0.00 -0.22 0.08 -0.58 -1.02 0.00 120.64 114.98 1ugo n GLU 26 Ca 0.17 0.49 0.28 0.00 -0.42 0.00 0.00 57.16 57.68 1ugo n GLU 26 Cb 0.98 -1.17 0.69 0.00 -0.57 0.00 0.00 31.44 31.37 1ugo n GLU 26 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1ugo h VAL 27 N 0.00 0.54 -0.01 2.62 -1.51 -0.75 1.02 116.25 118.16 1ugo h VAL 27 Ca 0.00 -0.03 -0.22 0.00 -1.23 0.00 0.00 66.70 65.22 1ugo h VAL 27 Cb 0.00 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 29.62 1ugo h VAL 27 CO 0.00 0.02 -0.92 0.50 -1.23 0.00 0.00 177.57 175.93 1ugo h LYS 28 N 0.08 0.44 0.00 5.19 3.64 0.01 0.14 116.57 126.07 1ugo h LYS 28 Ca 0.47 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1ugo h LYS 28 Cb 1.71 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.66 1ugo h LYS 28 CO -0.05 1.11 0.00 0.00 -2.27 0.00 0.00 179.45 178.24 1ugo n ALA 29 N -2.55 2.02 -0.19 5.00 0.00 0.34 -1.64 120.51 123.49 1ugo n ALA 29 Ca -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1ugo n ALA 29 Cb 0.82 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.26 0.44 -0.10 0.00 -6.64 -0.28 -4.70 119.36 106.82 1ugo n ILE 30 Ca 0.09 -0.62 -0.12 0.00 -1.77 0.00 0.00 62.75 60.32 1ugo n ILE 30 Cb 0.14 0.87 -0.04 0.00 -1.44 0.00 0.00 39.64 39.17 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 0.70 0.00 6.28 4.81 -0.02 -2.51 114.58 123.84 1ugo h GLU 31 Ca 0.00 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1ugo h GLU 31 Cb 0.37 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1ugo h GLU 31 CO 0.00 0.94 0.00 -0.35 -0.73 0.00 0.00 179.01 178.87 1ugo n PRO 32 N -4.31 0.70 -0.09 0.92 -0.04 -1.26 -2.62 135.00 128.30 1ugo n PRO 32 Ca -0.03 0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.29 1ugo n PRO 32 Cb 0.43 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 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 -0.80 0.54 4.20 -1.76 -3.17 115.11 114.12 1ugo h GLN 33 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1ugo h GLN 33 Cb 0.03 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 1ugo h GLN 33 CO 0.00 0.65 0.35 -0.24 -0.67 0.00 0.00 178.83 178.93 1ugo h VAL 34 N -1.00 1.25 -0.42 -0.54 3.04 -1.50 0.84 116.25 117.93 1ugo h VAL 34 Ca -0.20 -0.76 0.03 0.00 -1.01 0.00 0.00 66.70 64.76 1ugo h VAL 34 Cb 0.98 0.26 -0.03 0.00 -2.01 0.00 0.00 31.29 30.49 1ugo h VAL 34 CO -0.12 0.32 0.22 0.58 -1.01 0.00 0.00 177.57 177.55 1ugo h VAL 35 N 1.15 0.99 -0.76 1.51 2.07 -1.68 -2.28 116.25 117.25 1ugo h VAL 35 Ca 0.27 -0.15 -0.46 0.00 0.82 0.00 0.00 66.70 67.18 1ugo h VAL 35 Cb 0.16 0.51 -0.26 0.00 -1.52 0.00 0.00 31.29 30.19 1ugo h VAL 35 CO -0.03 0.08 0.26 0.61 0.02 0.00 0.00 177.57 178.51 1ugo n GLY 36 N -1.22 5.30 3.90 2.17 0.00 -0.91 -4.97 105.19 109.46 1ugo n GLY 36 Ca 0.02 -1.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.48 3.54 -0.30 1.61 5.36 0.29 -4.93 117.98 120.08 1ugo s PHE 37 Ca 0.54 0.87 -0.05 0.00 -0.96 0.00 0.00 56.93 57.34 1ugo s PHE 37 Cb 0.45 -2.34 0.19 0.00 -0.34 0.00 0.00 43.02 40.99 1ugo s PHE 37 CO 0.03 -0.24 0.84 -1.12 -1.46 0.00 0.00 175.22 173.27 1ugo s SER 38 N -3.89 -0.94 -0.17 6.13 0.01 -1.26 -4.55 113.70 109.03 1ugo s SER 38 Ca 0.48 0.22 0.05 0.00 1.31 0.00 0.00 55.95 58.01 1ugo s SER 38 Cb -0.10 1.64 0.17 0.00 0.21 0.00 0.00 66.02 67.94 1ugo s SER 38 CO 0.42 -0.17 0.96 0.61 0.41 0.00 0.00 173.24 175.47 1ugo n GLY 39 N 5.30 0.21 1.46 3.44 0.00 -1.24 -5.03 105.19 109.34 1ugo n GLY 39 Ca 0.04 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.63 0.00 -4.46 0.99 4.77 -1.21 -3.91 117.00 112.55 1ugo n LEU 40 Ca -0.09 0.73 -0.38 0.00 -0.03 0.00 0.00 56.01 56.24 1ugo n LEU 40 Cb 0.66 -2.27 -0.12 0.00 -2.33 0.00 0.00 43.42 39.37 1ugo n LEU 40 CO -0.07 -1.43 -0.23 -0.94 -1.33 0.00 0.00 177.39 173.39 1ugo s SER 41 N -4.22 5.43 0.00 -1.43 1.04 -1.26 -4.29 113.70 108.97 1ugo s SER 41 Ca 0.00 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1ugo s SER 41 Cb 0.00 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.14 1ugo s SER 41 CO 0.00 -0.11 0.00 0.47 0.98 0.00 0.00 173.24 174.58 1ugo n ASP 42 N 4.97 -1.48 -4.90 7.02 8.00 -1.26 -5.07 116.55 123.82 1ugo n ASP 42 Ca -0.15 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.10 1ugo n ASP 42 Cb 0.50 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 1ugo n ASP 42 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ugo s ASP 43 N -2.94 4.67 -0.91 -2.24 -1.08 -1.25 -4.95 116.67 107.97 1ugo s ASP 43 Ca 0.00 -1.19 -0.21 0.00 -0.52 0.00 0.00 52.55 50.63 1ugo s ASP 43 Cb 0.00 0.33 -0.12 0.00 -1.46 0.00 0.00 42.92 41.67 1ugo s ASP 43 CO 0.00 -1.07 1.97 1.17 0.52 0.00 0.00 175.17 177.75 1ugo n LYS 44 N -1.76 1.74 0.00 4.34 4.81 -1.26 -2.43 118.16 123.60 1ugo n LYS 44 Ca -0.00 -2.03 0.00 0.00 -0.87 0.00 0.00 58.31 55.40 1ugo n LYS 44 Cb 0.64 -3.04 0.00 0.00 0.02 0.00 0.00 35.03 32.64 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 7.83 0.00 -0.26 3.14 5.15 -1.26 -4.97 115.26 124.88 1ugo n ASN 45 Ca 0.50 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.44 1ugo n ASN 45 Cb 0.41 0.00 0.08 0.00 -0.53 0.00 0.00 39.78 39.74 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 0.88 -0.10 1.20 3.20 -1.67 -2.89 116.97 117.60 1ugo h TYR 46 Ca 0.00 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1ugo h TYR 46 Cb 0.00 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 37.94 1ugo h TYR 46 CO 0.00 0.52 -0.26 0.87 -1.64 0.00 0.00 178.16 177.65 1ugo h LYS 47 N 0.93 -0.24 -0.20 1.82 1.79 -1.92 0.43 116.57 119.18 1ugo h LYS 47 Ca 0.29 0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.80 1ugo h LYS 47 Cb -0.01 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 1ugo h LYS 47 CO -0.10 -0.16 -0.13 -0.09 -1.08 0.00 0.00 179.45 177.89 1ugo h ARG 48 N -0.25 -0.02 -0.27 3.15 9.65 -1.84 1.55 114.38 126.34 1ugo h ARG 48 Ca 0.02 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 1ugo h ARG 48 Cb 0.31 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.85 1ugo h ARG 48 CO -0.23 -0.01 -0.24 -0.07 2.80 0.00 0.00 179.97 182.22 1ugo h LEU 49 N -0.02 -0.84 -0.70 3.80 3.38 -1.28 0.66 115.31 120.30 1ugo h LEU 49 Ca 0.03 0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.25 1ugo h LEU 49 Cb 0.10 0.36 -0.13 0.00 0.09 0.00 0.00 40.66 41.07 1ugo h LEU 49 CO -0.20 -0.14 -0.25 -0.08 0.09 0.00 0.00 178.44 177.86 1ugo h GLU 50 N -0.10 -0.06 0.06 1.13 4.81 0.75 -0.12 114.58 121.04 1ugo h GLU 50 Ca 0.04 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1ugo h GLU 50 Cb 0.22 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 1ugo h GLU 50 CO -0.31 -0.04 -0.38 0.00 -0.73 0.00 0.00 179.01 177.56 1ugo h ARG 51 N -0.06 -0.55 -0.98 1.92 2.47 0.43 0.45 114.38 118.07 1ugo h ARG 51 Ca 0.31 0.04 0.32 0.00 -1.26 0.00 0.00 59.98 59.38 1ugo h ARG 51 Cb 0.55 0.12 -0.17 0.00 -1.65 0.00 0.00 29.97 28.82 1ugo h ARG 51 CO -0.75 -0.37 0.25 0.82 0.56 0.00 0.00 179.97 180.49 1ugo h ILE 52 N -0.57 0.07 0.21 2.04 2.04 0.21 1.71 117.51 123.21 1ugo h ILE 52 Ca 0.04 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1ugo h ILE 52 Cb 0.63 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1ugo h ILE 52 CO -0.26 0.01 -0.10 -0.07 0.00 0.00 0.00 178.15 177.73 1ugo h LEU 53 N 0.05 -0.23 -0.98 1.44 3.38 -0.35 -1.73 115.31 116.90 1ugo h LEU 53 Ca 0.68 -0.30 0.19 0.00 0.09 0.00 0.00 57.88 58.54 1ugo h LEU 53 Cb 1.56 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 42.26 1ugo h LEU 53 CO -0.82 0.26 0.57 0.00 0.09 0.00 0.00 178.44 178.55 1ugo h THR 54 N -0.83 0.68 0.18 0.22 1.03 0.40 0.46 112.91 115.05 1ugo h THR 54 Ca -0.03 -0.24 -0.01 0.00 -0.01 0.00 0.00 66.41 66.12 1ugo h THR 54 Cb 0.52 -0.09 0.00 0.00 -1.07 0.00 0.00 68.15 67.50 1ugo h THR 54 CO 0.05 0.13 -0.09 0.11 -0.01 0.00 0.00 175.52 175.71 1ugo h LYS 55 N 0.71 -0.24 -0.87 0.00 1.57 0.23 -0.75 116.57 117.22 1ugo h LYS 55 Ca 0.57 0.02 0.23 0.00 -1.87 0.00 0.00 60.65 59.59 1ugo h LYS 55 Cb 0.91 0.05 -0.15 0.00 0.08 0.00 0.00 32.23 33.12 1ugo h LYS 55 CO -0.40 -0.16 0.15 1.96 -0.57 0.00 0.00 179.45 180.43 1ugo h GLN 56 N -0.29 0.14 0.21 3.15 1.08 -0.88 0.15 115.11 118.67 1ugo h GLN 56 Ca -0.03 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1ugo h GLN 56 Cb 0.19 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.55 1ugo h GLN 56 CO 0.04 0.09 -0.40 1.25 -0.95 0.00 0.00 178.83 178.87 1ugo h LEU 57 N 0.15 -1.14 -1.80 1.46 7.12 -0.05 0.12 115.31 121.16 1ugo h LEU 57 Ca 0.53 0.12 0.27 0.00 0.13 0.00 0.00 57.88 58.93 1ugo h LEU 57 Cb 1.05 0.42 -0.04 0.00 -0.53 0.00 0.00 40.66 41.55 1ugo h LEU 57 CO -0.70 -0.50 0.82 0.15 -0.13 0.00 0.00 178.44 178.08 1ugo h PHE 58 N -0.69 0.00 0.04 1.25 3.04 0.84 1.49 116.94 122.91 1ugo h PHE 58 Ca 0.01 0.00 -0.22 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 -0.31 0.00 -1.05 0.93 -2.02 0.00 0.00 178.31 175.86 1ugo h GLU 59 N 0.00 0.09 0.01 1.11 4.39 -0.10 -3.04 114.58 117.04 1ugo h GLU 59 Ca 0.44 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 1ugo h GLU 59 Cb 2.07 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.78 1ugo h GLU 59 CO -0.00 1.05 -0.00 0.82 -1.16 0.00 0.00 179.01 179.71 1ugo h ILE 60 N 0.03 1.12 0.00 3.13 2.04 0.35 0.10 117.51 124.28 1ugo h ILE 60 Ca -0.05 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1ugo h ILE 60 Cb 1.79 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 39.25 1ugo h ILE 60 CO 0.15 0.10 -0.03 -0.78 0.00 0.00 0.00 178.15 177.59 1ugo h ASP 61 N -0.17 0.00 -0.02 1.72 3.58 -1.46 -1.87 116.42 118.20 1ugo h ASP 61 Ca -0.00 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 1ugo h ASP 61 Cb 0.17 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.22 1ugo h ASP 61 CO 0.00 0.03 -0.28 -1.28 -2.88 0.00 0.00 179.24 174.83 1ugo h SER 62 N 0.00 0.27 -1.04 2.28 0.87 -1.20 -3.44 113.55 111.29 1ugo h SER 62 Ca -0.00 -0.74 -0.76 0.00 -1.23 0.00 0.00 61.79 59.06 1ugo h SER 62 Cb 0.07 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1ugo h SER 62 CO 0.00 0.97 1.05 0.52 -0.53 0.00 0.00 176.83 178.85 1ugo n VAL 63 N -4.48 0.17 -1.33 2.23 0.31 0.27 -4.89 118.33 110.60 1ugo n VAL 63 Ca -0.09 -0.07 -0.30 0.00 -0.01 0.00 0.00 64.34 63.86 1ugo n VAL 63 Cb 0.50 -1.03 0.11 0.00 -0.91 0.00 0.00 33.84 32.52 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 4.71 3.99 0.09 4.52 2.15 -1.26 -4.99 116.67 125.89 1ugo s ASP 64 Ca 1.06 1.48 0.00 0.00 0.43 0.00 0.00 52.55 55.52 1ugo s ASP 64 Cb -1.20 -2.18 0.00 0.00 -0.30 0.00 0.00 42.92 39.24 1ugo s ASP 64 CO 0.66 -2.31 0.00 0.35 -0.17 0.00 0.00 175.17 173.70 1ugo n THR 65 N -3.67 0.31 -2.48 1.71 -2.24 -1.26 -4.89 114.28 101.77 1ugo n THR 65 Ca 0.07 0.10 -0.10 0.00 -2.27 0.00 0.00 64.05 61.86 1ugo n THR 65 Cb 0.55 -1.05 0.01 0.00 -2.10 0.00 0.00 70.33 67.75 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 -3.12 -1.78 -3.76 -0.78 2.13 -1.26 -3.65 120.64 108.42 1ugo n GLU 66 Ca 0.00 0.42 -0.31 0.00 0.66 0.00 0.00 57.16 57.94 1ugo n GLU 66 Cb 0.13 -4.30 0.02 0.00 0.27 0.00 0.00 31.44 27.56 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 -1.07 -1.07 0.04 8.31 0.00 -1.26 -4.89 105.19 105.25 1ugo n GLY 67 Ca -0.07 0.47 -0.04 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.73 2.35 0.00 1.61 5.02 -1.24 -5.04 118.16 117.13 1ugo n LYS 68 Ca -0.15 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1ugo n LYS 68 Cb 0.60 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 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 2.39 2.12 0.33 0.72 0.00 -1.26 -4.70 105.19 104.80 1ugo n GLY 69 Ca -0.15 -0.39 0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 3.66 0.19 -0.10 1.61 8.00 -1.26 0.18 116.55 128.83 1ugo n ASP 70 Ca 0.00 1.66 -0.20 0.00 0.71 0.00 0.00 54.79 56.96 1ugo n ASP 70 Cb 0.00 -0.74 -0.10 0.00 -0.02 0.00 0.00 41.12 40.26 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 0.83 -1.41 0.53 2.04 -1.91 -3.23 117.51 114.36 1ugo h ILE 71 Ca 0.76 -2.06 0.41 0.00 1.00 0.00 0.00 64.86 64.97 1ugo h ILE 71 Cb 1.89 2.00 -0.06 0.00 -0.74 0.00 0.00 36.82 39.91 1ugo h ILE 71 CO -0.82 0.28 1.01 -0.61 0.00 0.00 0.00 178.15 178.01 1ugo h GLN 72 N -1.00 0.02 0.09 2.37 -0.00 -1.33 0.83 115.11 116.09 1ugo h GLN 72 Ca -0.31 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.34 1ugo h GLN 72 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.69 1ugo h GLN 72 CO -0.19 0.01 -0.04 1.96 0.00 0.00 0.00 178.83 180.57 1ugo h GLN 73 N 0.02 -0.11 0.68 1.69 1.08 0.18 -2.12 115.11 116.53 1ugo h GLN 73 Ca 0.68 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.86 1ugo h GLN 73 Cb 2.68 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 30.14 1ugo h GLN 73 CO -0.03 0.38 -0.36 0.00 -0.95 0.00 0.00 178.83 177.88 1ugo h ALA 74 N -0.34 -0.96 -0.10 3.87 0.00 -0.60 0.51 119.26 121.64 1ugo h ALA 74 Ca -0.01 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1ugo h ALA 74 Cb 0.55 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1ugo h ALA 74 CO 0.02 -1.04 -0.41 -0.09 0.00 0.00 0.00 179.25 177.73 1ugo h ARG 75 N -0.95 -0.42 -0.24 0.00 2.43 0.35 1.42 114.38 116.97 1ugo h ARG 75 Ca -0.09 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.18 1ugo h ARG 75 Cb 0.74 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1ugo h ARG 75 CO 0.13 -0.28 0.25 1.57 -1.51 0.00 0.00 179.97 180.13 1ugo h LYS 76 N -0.44 0.00 0.00 0.20 5.09 -1.34 1.10 116.57 121.18 1ugo h LYS 76 Ca 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 60.65 60.66 1ugo h LYS 76 Cb 0.51 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.83 1ugo h LYS 76 CO -0.33 0.00 -0.49 0.00 -2.09 0.00 0.00 179.45 176.54 1ugo h ARG 77 N 0.00 0.00 0.00 0.07 2.47 0.46 -3.07 114.38 114.31 1ugo h ARG 77 Ca 0.12 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.61 1ugo h ARG 77 Cb 0.61 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.89 1ugo h ARG 77 CO -0.00 0.49 -1.62 0.00 0.56 0.00 0.00 179.97 179.40 1ugo n ALA 78 N -2.23 1.74 0.31 0.04 0.00 0.44 -2.49 120.51 118.33 1ugo n ALA 78 Ca 0.02 -0.69 0.16 0.00 0.00 0.00 0.00 53.44 52.93 1ugo n ALA 78 Cb 0.72 -0.85 0.64 0.00 0.00 0.00 0.00 19.45 19.97 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 1.23 1.00 0.03 0.00 0.00 0.86 -2.25 119.26 120.12 1ugo h ALA 79 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.28 1ugo h ALA 79 Cb 1.80 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.53 1ugo h ALA 79 CO 0.06 0.00 -2.28 1.04 0.00 0.00 0.00 179.25 178.07 1ugo n GLN 80 N -2.85 0.65 0.28 0.00 6.02 -1.16 -3.94 117.38 116.38 1ugo n GLN 80 Ca 0.01 0.24 -0.18 0.00 -0.01 0.00 0.00 57.00 57.06 1ugo n GLN 80 Cb 0.28 -1.58 -0.10 0.00 1.02 0.00 0.00 30.24 29.87 1ugo n GLN 80 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1ugo h GLU 81 N -0.29 -0.96 -0.22 -1.09 4.81 -1.39 0.63 114.58 116.07 1ugo h GLU 81 Ca -0.55 0.07 0.04 0.00 -0.13 0.00 0.00 59.36 58.79 1ugo h GLU 81 Cb 1.81 0.22 -0.07 0.00 0.63 0.00 0.00 28.75 31.34 1ugo h GLU 81 CO -0.14 -0.64 -0.50 1.15 -0.73 0.00 0.00 179.01 178.16 1ugo h THR 82 N -0.99 0.05 -0.31 0.32 2.02 -1.64 0.40 112.91 112.76 1ugo h THR 82 Ca -0.06 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.21 1ugo h THR 82 Cb 0.87 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1ugo h THR 82 CO -0.08 0.00 0.24 -0.33 0.37 0.00 0.00 175.52 175.72 1ugo h GLU 83 N -0.49 0.00 -0.66 6.66 4.39 -1.64 0.40 114.58 123.25 1ugo h GLU 83 Ca 0.07 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 1ugo h GLU 83 Cb 0.64 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.26 1ugo h GLU 83 CO -0.48 0.00 0.34 -0.09 -1.16 0.00 0.00 179.01 177.62 1ugo h ARG 84 N 0.00 0.93 0.04 2.33 2.43 0.46 -2.46 114.38 118.11 1ugo h ARG 84 Ca 0.15 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1ugo h ARG 84 Cb 0.62 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1ugo h ARG 84 CO -0.00 0.72 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.09 1ugo h LEU 85 N 0.90 -0.04 -1.72 3.80 3.38 0.14 -3.14 115.31 118.63 1ugo h LEU 85 Ca 0.23 -0.65 0.53 0.00 0.09 0.00 0.00 57.88 58.09 1ugo h LEU 85 Cb 0.08 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.73 1ugo h LEU 85 CO -0.03 0.67 1.19 0.25 0.09 0.00 0.00 178.44 180.61 1ugo h LEU 86 N -0.80 0.09 0.32 1.67 6.46 -0.94 1.26 115.31 123.37 1ugo h LEU 86 Ca -0.00 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1ugo h LEU 86 Cb 0.68 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 1ugo h LEU 86 CO 0.01 -0.12 -0.15 0.11 -0.62 0.00 0.00 178.44 177.66 1ugo h LYS 87 N 0.00 -0.41 -0.38 1.25 1.79 -1.40 -2.99 116.57 114.43 1ugo h LYS 87 Ca 0.92 0.03 0.11 0.00 -2.18 0.00 0.00 60.65 59.53 1ugo h LYS 87 Cb 3.38 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 34.10 1ugo h LYS 87 CO -0.22 -0.08 0.30 0.93 -1.08 0.00 0.00 179.45 179.30 1ugo h GLU 88 N -0.88 0.00 0.34 3.15 4.39 0.14 -1.86 114.58 119.86 1ugo h GLU 88 Ca -0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1ugo h GLU 88 Cb 0.52 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 1ugo h GLU 88 CO 0.07 0.00 -0.46 1.25 -1.16 0.00 0.00 179.01 178.71 1ugo h LEU 89 N 0.00 -1.29 -0.34 1.33 5.85 -0.46 1.39 115.31 121.79 1ugo h LEU 89 Ca 0.18 0.12 0.07 0.00 0.84 0.00 0.00 57.88 59.09 1ugo h LEU 89 Cb 0.78 0.45 -0.08 0.00 0.37 0.00 0.00 40.66 42.18 1ugo h LEU 89 CO -0.00 -0.58 -0.34 -0.33 -0.34 0.00 0.00 178.44 176.85 1ugo h GLU 90 N -0.84 -0.28 0.37 1.25 5.08 -1.30 0.61 114.58 119.46 1ugo h GLU 90 Ca -0.03 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1ugo h GLU 90 Cb 0.78 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1ugo h GLU 90 CO -0.13 -0.19 -0.18 0.37 -1.00 0.00 0.00 179.01 177.88 1ugo h GLN 91 N -0.29 -0.48 -1.18 2.33 4.15 -1.36 -2.58 115.11 115.69 1ugo h GLN 91 Ca 0.15 0.03 0.43 0.00 0.77 0.00 0.00 58.65 60.03 1ugo h GLN 91 Cb 0.55 0.11 -0.15 0.00 0.21 0.00 0.00 27.48 28.19 1ugo h GLN 91 CO -0.50 -0.32 0.71 -0.91 -1.93 0.00 0.00 178.83 175.88 1ugo h ASN 92 N -0.50 0.29 0.00 -0.69 2.35 0.21 -0.83 115.58 116.41 1ugo h ASN 92 Ca -0.05 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1ugo h ASN 92 Cb 0.38 0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1ugo h ASN 92 CO 0.08 -0.30 0.00 0.00 -1.65 0.00 0.00 177.43 175.56 1ugo n ALA 93 N -2.40 -0.00 0.00 -0.83 0.00 0.21 -4.51 120.51 112.99 1ugo n ALA 93 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1ugo n ALA 93 Cb 1.37 0.41 0.00 0.00 0.00 0.00 0.00 19.45 21.23 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 -2.30 0.00 -1.37 0.00 2.88 -0.32 -3.32 113.62 109.19 1ugo n SER 94 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1ugo n SER 94 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 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 -0.47 -3.02 3.56 0.46 0.00 -1.25 -4.40 105.19 100.07 1ugo n GLY 95 Ca 0.00 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 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 -4.57 3.12 -0.23 1.61 0.04 -1.26 -4.39 135.00 129.32 1ugo s PRO 96 Ca 0.00 -0.89 -0.13 0.00 0.04 0.00 0.00 61.00 60.01 1ugo s PRO 96 Cb 0.00 -5.25 0.02 0.00 0.04 0.00 0.00 34.50 29.31 1ugo s PRO 96 CO 0.00 -2.84 0.26 0.45 0.04 0.00 0.00 177.00 174.91 1ugo n SER 97 N 11.35 -6.66 0.22 6.66 2.88 -1.26 -4.87 113.62 121.95 1ugo n SER 97 Ca 0.39 0.43 -0.16 0.00 -1.33 0.00 0.00 58.87 58.20 1ugo n SER 97 Cb 0.48 -2.65 -0.08 0.00 -0.75 0.00 0.00 64.21 61.22 1ugo n SER 97 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1ugo h SER 98 N 2.89 -1.02 0.00 -3.46 4.64 -1.78 -3.55 113.55 111.28 1ugo h SER 98 Ca -0.17 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1ugo h SER 98 Cb 0.95 0.34 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1ugo h SER 98 CO 0.11 -0.51 0.00 0.61 -0.87 0.00 0.00 176.83 176.16