#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 4.28 0.42 1.61 1.04 -1.26 -5.15 113.70 114.65 1ugo s SER 2 Ca 0.00 -0.85 0.08 0.00 0.48 0.00 0.00 55.95 55.66 1ugo s SER 2 Cb 0.00 -0.63 0.00 0.00 0.10 0.00 0.00 66.02 65.49 1ugo s SER 2 CO 0.00 -0.12 0.52 -0.55 0.98 0.00 0.00 173.24 174.07 1ugo s SER 3 N -3.69 5.48 0.00 7.02 0.15 -1.26 -5.13 113.70 116.27 1ugo s SER 3 Ca 0.33 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1ugo s SER 3 Cb -0.03 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 1ugo s SER 3 CO 0.19 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.50 1ugo n GLY 4 N -1.77 4.53 3.46 9.45 0.00 -1.26 -5.18 105.19 114.42 1ugo n GLY 4 Ca 0.07 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.21 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 0.65 -0.48 0.05 1.61 0.15 -1.26 -5.18 113.70 109.24 1ugo s SER 5 Ca 0.00 -0.01 -0.06 0.00 0.70 0.00 0.00 55.95 56.57 1ugo s SER 5 Cb 0.00 0.51 -0.01 0.00 -1.71 0.00 0.00 66.02 64.81 1ugo s SER 5 CO 0.00 -0.83 0.12 -0.44 1.20 0.00 0.00 173.24 173.29 1ugo s SER 6 N -2.64 0.18 0.72 5.45 0.01 -1.26 -5.17 113.70 110.98 1ugo s SER 6 Ca 0.03 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.70 1ugo s SER 6 Cb -0.01 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.48 1ugo s SER 6 CO -0.11 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.57 1ugo n GLY 7 N 0.48 -1.15 3.08 3.44 0.00 -1.26 -5.10 105.19 104.68 1ugo n GLY 7 Ca -0.17 -1.64 0.05 0.00 0.00 0.00 0.00 46.02 44.26 1ugo n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ugo s MET 8 N -2.17 0.11 -0.18 1.61 1.75 -1.26 -5.17 119.30 113.99 1ugo s MET 8 Ca 0.00 0.07 -0.30 0.00 -1.25 0.00 0.00 55.69 54.21 1ugo s MET 8 Cb 0.00 0.04 0.14 0.00 2.84 0.00 0.00 34.83 37.85 1ugo s MET 8 CO 0.00 -0.20 1.08 0.34 -0.65 0.00 0.00 175.02 175.59 1ugo s ASP 9 N 2.78 -0.29 0.10 1.11 -1.08 -1.26 -5.19 116.67 112.85 1ugo s ASP 9 Ca 0.27 0.28 -0.26 0.00 -0.52 0.00 0.00 52.55 52.31 1ugo s ASP 9 Cb -0.00 0.24 0.08 0.00 -1.46 0.00 0.00 42.92 41.78 1ugo s ASP 9 CO -0.21 -0.29 0.93 0.00 0.52 0.00 0.00 175.17 176.11 1ugo s MET 10 N -1.30 1.08 0.00 4.34 0.23 -1.26 -5.16 119.30 117.23 1ugo s MET 10 Ca 0.02 -0.54 0.00 0.00 -1.03 0.00 0.00 55.69 54.14 1ugo s MET 10 Cb -0.01 0.40 0.00 0.00 -1.53 0.00 0.00 34.83 33.70 1ugo s MET 10 CO -0.01 -0.49 0.00 0.41 -2.03 0.00 0.00 175.02 172.90 1ugo n GLY 11 N -0.40 1.75 3.57 3.16 0.00 -1.26 -5.08 105.19 106.93 1ugo n GLY 11 Ca -0.07 0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 2.80 -4.55 1.61 3.02 -1.26 -4.86 115.26 112.01 1ugo n ASN 12 Ca 0.00 0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 54.16 1ugo n ASN 12 Cb 0.00 -1.52 -0.03 0.00 -0.61 0.00 0.00 39.78 37.62 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 6.96 3.14 0.34 3.52 0.74 -1.26 -4.96 119.66 128.13 1ugo s GLN 13 Ca 1.02 -0.23 -0.25 0.00 0.05 0.00 0.00 55.36 55.96 1ugo s GLN 13 Cb -0.37 -4.39 -0.14 0.00 1.10 0.00 0.00 33.01 29.21 1ugo s GLN 13 CO 0.34 -2.28 0.55 1.58 -0.55 0.00 0.00 175.29 174.94 1ugo n HIS 14 N 9.95 -0.42 0.52 1.67 -0.00 -1.26 -4.80 115.22 120.87 1ugo n HIS 14 Ca 0.10 0.72 0.12 0.00 -0.00 0.00 0.00 57.72 58.67 1ugo n HIS 14 Cb 0.50 -2.00 0.45 0.00 -0.00 0.00 0.00 29.99 28.94 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 0.83 0.23 -0.01 1.57 -0.04 -1.26 -2.08 135.00 134.25 1ugo n PRO 15 Ca 0.13 0.32 -0.11 0.00 -0.04 0.00 0.00 63.50 63.79 1ugo n PRO 15 Cb 0.34 -1.84 -0.14 0.00 -0.04 0.00 0.00 33.50 31.83 1ugo n PRO 15 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1ugo h SER 16 N 0.00 0.11 0.12 3.54 0.02 -1.90 -3.23 113.55 112.21 1ugo h SER 16 Ca 0.00 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 1ugo h SER 16 Cb 0.55 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1ugo h SER 16 CO 0.00 1.19 -0.06 0.40 -1.14 0.00 0.00 176.83 177.23 1ugo h ILE 17 N 0.02 1.04 -0.95 3.27 1.08 -1.87 -2.34 117.51 117.76 1ugo h ILE 17 Ca -0.29 -1.18 0.18 0.00 -0.39 0.00 0.00 64.86 63.17 1ugo h ILE 17 Cb 2.00 1.72 -0.10 0.00 -3.07 0.00 0.00 36.82 37.37 1ugo h ILE 17 CO 0.09 0.26 0.54 -1.28 -0.69 0.00 0.00 178.15 177.07 1ugo h SER 18 N -0.77 0.67 0.65 1.72 0.87 -1.59 0.43 113.55 115.52 1ugo h SER 18 Ca -0.02 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 1ugo h SER 18 Cb 0.55 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1ugo h SER 18 CO 0.03 0.23 -0.31 -0.09 -0.53 0.00 0.00 176.83 176.16 1ugo h ARG 19 N 0.69 -0.84 -0.85 2.24 9.65 -1.56 0.25 114.38 123.96 1ugo h ARG 19 Ca 0.54 0.06 0.22 0.00 -1.10 0.00 0.00 59.98 59.70 1ugo h ARG 19 Cb 0.84 0.19 -0.05 0.00 -1.39 0.00 0.00 29.97 29.56 1ugo h ARG 19 CO -0.39 -0.56 0.59 -0.07 2.80 0.00 0.00 179.97 182.34 1ugo h LEU 20 N -0.89 0.21 -0.81 3.80 3.38 -0.84 1.38 115.31 121.54 1ugo h LEU 20 Ca -0.09 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1ugo h LEU 20 Cb 0.67 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1ugo h LEU 20 CO 0.15 0.08 -0.30 1.56 0.09 0.00 0.00 178.44 180.02 1ugo h GLN 21 N 0.21 0.00 0.00 1.13 4.20 0.28 0.16 115.11 121.08 1ugo h GLN 21 Ca 0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.14 1ugo h GLN 21 Cb 1.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.13 1ugo h GLN 21 CO -0.09 0.30 -0.94 1.49 -0.67 0.00 0.00 178.83 178.91 1ugo h GLU 22 N 0.00 0.00 0.07 1.46 4.81 0.52 -3.18 114.58 118.25 1ugo h GLU 22 Ca -0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 1ugo h GLU 22 Cb 0.92 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 1ugo h GLU 22 CO 0.04 0.00 -1.84 0.82 -0.73 0.00 0.00 179.01 177.30 1ugo h ILE 23 N 0.00 0.76 -0.37 2.32 2.04 -0.12 -3.29 117.51 118.85 1ugo h ILE 23 Ca 0.00 -2.54 -0.03 0.00 1.00 0.00 0.00 64.86 63.29 1ugo h ILE 23 Cb 1.00 2.48 -0.02 0.00 -0.74 0.00 0.00 36.82 39.54 1ugo h ILE 23 CO 0.00 0.70 0.10 1.56 0.00 0.00 0.00 178.15 180.51 1ugo h GLN 24 N 0.04 0.59 0.00 2.37 4.20 -0.82 -0.93 115.11 120.56 1ugo h GLN 24 Ca -0.35 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.21 1ugo h GLN 24 Cb 2.02 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.72 1ugo h GLN 24 CO 0.09 0.62 -0.06 0.07 -0.67 0.00 0.00 178.83 178.88 1ugo h ARG 25 N 0.45 0.00 0.03 1.46 0.11 -1.71 0.28 114.38 115.00 1ugo h ARG 25 Ca 0.12 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.20 1ugo h ARG 25 Cb 0.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 1ugo h ARG 25 CO -0.00 0.06 -0.02 0.93 0.10 0.00 0.00 179.97 181.04 1ugo h GLU 26 N 0.00 -0.04 -1.09 0.08 4.39 -1.45 -0.05 114.58 116.42 1ugo h GLU 26 Ca -0.00 0.00 0.30 0.00 0.34 0.00 0.00 59.36 60.00 1ugo h GLU 26 Cb 0.14 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.70 1ugo h GLU 26 CO 0.01 -0.03 0.70 -0.39 -1.16 0.00 0.00 179.01 178.14 1ugo h VAL 27 N -0.21 0.44 -0.25 3.13 -1.51 -1.16 1.30 116.25 118.00 1ugo h VAL 27 Ca -0.00 -0.11 -0.18 0.00 -1.23 0.00 0.00 66.70 65.17 1ugo h VAL 27 Cb 0.03 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.28 1ugo h VAL 27 CO 0.01 0.06 -0.57 0.50 -1.23 0.00 0.00 177.57 176.34 1ugo h LYS 28 N 0.33 0.82 0.00 5.19 1.63 -1.03 1.46 116.57 124.96 1ugo h LYS 28 Ca 0.64 -0.55 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1ugo h LYS 28 Cb 1.71 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 33.42 1ugo h LYS 28 CO -0.32 1.18 0.00 0.00 -3.45 0.00 0.00 179.45 176.85 1ugo h ALA 29 N 0.64 1.00 -0.07 5.00 0.00 0.30 -2.31 119.26 123.80 1ugo h ALA 29 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ugo h ALA 29 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ugo h ALA 29 CO 0.12 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.81 1ugo n ILE 30 N -2.54 0.24 -0.09 0.00 -6.64 0.36 -4.58 119.36 106.12 1ugo n ILE 30 Ca 0.03 -0.62 -0.10 0.00 -1.77 0.00 0.00 62.75 60.29 1ugo n ILE 30 Cb 0.32 1.02 -0.03 0.00 -1.44 0.00 0.00 39.64 39.51 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 1.69 0.44 0.00 6.28 4.81 0.26 -1.90 114.58 126.16 1ugo h GLU 31 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1ugo h GLU 31 Cb 0.44 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1ugo h GLU 31 CO 0.00 0.45 0.00 -0.35 -0.73 0.00 0.00 179.01 178.38 1ugo n PRO 32 N -4.75 0.13 0.08 0.92 -0.04 -1.26 -1.84 135.00 128.25 1ugo n PRO 32 Ca -0.02 0.10 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 1ugo n PRO 32 Cb 0.13 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.07 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 0.23 0.04 0.54 4.20 -1.61 -1.65 115.11 116.86 1ugo h GLN 33 Ca 0.00 -0.25 -0.34 0.00 0.06 0.00 0.00 58.65 58.12 1ugo h GLN 33 Cb 0.31 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.12 1ugo h GLN 33 CO 0.00 0.98 -2.02 1.33 -0.67 0.00 0.00 178.83 178.45 1ugo n VAL 34 N -3.67 1.60 -0.06 -0.54 0.24 -1.10 -3.08 118.33 111.72 1ugo n VAL 34 Ca -0.04 -0.74 -0.03 0.00 -2.04 0.00 0.00 64.34 61.49 1ugo n VAL 34 Cb 0.82 -1.18 0.21 0.00 -1.47 0.00 0.00 33.84 32.21 1ugo n VAL 34 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1ugo h VAL 35 N 0.02 1.23 -0.64 3.34 2.07 -1.44 -2.26 116.25 118.57 1ugo h VAL 35 Ca -0.41 -0.96 -0.23 0.00 0.82 0.00 0.00 66.70 65.91 1ugo h VAL 35 Cb 2.05 0.95 -0.14 0.00 -1.52 0.00 0.00 31.29 32.63 1ugo h VAL 35 CO 0.05 0.33 0.24 0.61 0.02 0.00 0.00 177.57 178.82 1ugo n GLY 36 N -0.69 4.11 3.72 2.17 0.00 -0.62 -4.95 105.19 108.93 1ugo n GLY 36 Ca 0.02 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.08 3.60 -0.42 1.61 5.36 -0.85 -4.97 117.98 119.23 1ugo s PHE 37 Ca 0.52 1.32 0.03 0.00 -0.96 0.00 0.00 56.93 57.83 1ugo s PHE 37 Cb 0.43 -2.84 0.12 0.00 -0.34 0.00 0.00 43.02 40.38 1ugo s PHE 37 CO 0.10 0.08 0.18 -1.12 -1.46 0.00 0.00 175.22 173.00 1ugo s SER 38 N 0.78 4.13 0.00 6.13 0.01 -1.26 -4.30 113.70 119.20 1ugo s SER 38 Ca 0.39 -2.48 0.00 0.00 1.31 0.00 0.00 55.95 55.17 1ugo s SER 38 Cb -0.18 -1.31 0.00 0.00 0.21 0.00 0.00 66.02 64.74 1ugo s SER 38 CO 0.20 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1ugo n GLY 39 N 3.77 3.56 3.11 3.44 0.00 -1.21 -5.09 105.19 112.78 1ugo n GLY 39 Ca 0.05 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 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 1.86 -0.44 0.99 1.43 -1.26 -3.67 118.68 117.59 1ugo s LEU 40 Ca 0.00 -0.35 -0.41 0.00 -1.03 0.00 0.00 54.13 52.34 1ugo s LEU 40 Cb 0.00 -0.96 -0.16 0.00 0.03 0.00 0.00 46.19 45.09 1ugo s LEU 40 CO 0.00 0.12 2.11 -1.20 0.23 0.00 0.00 176.35 177.61 1ugo n SER 41 N 3.35 1.31 -2.02 2.29 7.64 -1.26 -3.16 113.62 121.76 1ugo n SER 41 Ca -0.19 0.63 -0.01 0.00 1.01 0.00 0.00 58.87 60.31 1ugo n SER 41 Cb 0.53 -1.03 -0.01 0.00 -1.01 0.00 0.00 64.21 62.68 1ugo n SER 41 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ugo n ASP 42 N 8.02 -3.01 -0.18 6.43 9.92 -1.26 -5.08 116.55 131.39 1ugo n ASP 42 Ca 0.48 0.63 0.00 0.00 -0.53 0.00 0.00 54.79 55.37 1ugo n ASP 42 Cb 0.06 -2.95 0.00 0.00 -0.64 0.00 0.00 41.12 37.59 1ugo n ASP 42 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1ugo n ASP 43 N 0.54 0.00 -3.81 -2.24 -0.08 -1.19 -4.99 116.55 104.78 1ugo n ASP 43 Ca -0.10 -0.18 -0.42 0.00 -1.51 0.00 0.00 54.79 52.58 1ugo n ASP 43 Cb 0.15 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.61 1ugo n ASP 43 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1ugo n LYS 44 N 0.00 3.33 0.00 -0.67 5.02 -1.26 -3.58 118.16 121.00 1ugo n LYS 44 Ca 0.00 -3.17 0.00 0.00 -2.02 0.00 0.00 58.31 53.12 1ugo n LYS 44 Cb 0.00 -3.06 0.00 0.00 -0.02 0.00 0.00 35.03 31.95 1ugo n LYS 44 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ugo n ASN 45 N 4.70 0.00 0.08 4.39 4.13 -1.26 -4.99 115.26 122.31 1ugo n ASN 45 Ca 0.44 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.58 1ugo n ASN 45 Cb 0.37 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.55 1ugo n ASN 45 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1ugo h TYR 46 N 0.00 -0.22 -0.87 3.10 5.03 -1.85 -2.90 116.97 119.26 1ugo h TYR 46 Ca 0.00 0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.40 1ugo h TYR 46 Cb 0.00 0.09 -0.12 0.00 1.55 0.00 0.00 36.73 38.25 1ugo h TYR 46 CO 0.00 -0.13 -0.56 0.87 -1.32 0.00 0.00 178.16 177.02 1ugo h LYS 47 N -0.18 -0.08 -0.94 1.82 6.56 -1.93 0.42 116.57 122.24 1ugo h LYS 47 Ca 0.01 0.01 0.16 0.00 -1.06 0.00 0.00 60.65 59.77 1ugo h LYS 47 Cb 0.19 0.02 -0.16 0.00 -0.57 0.00 0.00 32.23 31.71 1ugo h LYS 47 CO -0.04 -0.06 -0.31 -2.13 -2.06 0.00 0.00 179.45 174.85 1ugo n ARG 48 N -5.30 -0.17 0.30 3.15 0.63 -1.10 0.14 116.66 114.31 1ugo n ARG 48 Ca 0.02 1.45 -0.12 0.00 -0.92 0.00 0.00 57.85 58.28 1ugo n ARG 48 Cb 0.29 -2.16 -0.06 0.00 0.45 0.00 0.00 32.46 30.99 1ugo n ARG 48 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1ugo h LEU 49 N 0.00 -0.66 -0.92 6.15 3.38 -0.23 0.55 115.31 123.59 1ugo h LEU 49 Ca 0.38 0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.62 1ugo h LEU 49 Cb 0.61 0.17 -0.16 0.00 0.09 0.00 0.00 40.66 41.37 1ugo h LEU 49 CO -0.94 -0.47 0.12 -0.08 0.09 0.00 0.00 178.44 177.15 1ugo h GLU 50 N -0.77 0.08 0.23 1.13 4.81 0.11 0.39 114.58 120.56 1ugo h GLU 50 Ca -0.08 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1ugo h GLU 50 Cb 0.59 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 1ugo h GLU 50 CO 0.13 0.05 -0.15 -0.09 -0.73 0.00 0.00 179.01 178.23 1ugo h ARG 51 N 0.09 -0.35 -0.95 1.92 9.65 0.14 1.32 114.38 126.19 1ugo h ARG 51 Ca 0.57 0.02 0.21 0.00 -1.10 0.00 0.00 59.98 59.68 1ugo h ARG 51 Cb 1.17 0.08 -0.08 0.00 -1.39 0.00 0.00 29.97 29.75 1ugo h ARG 51 CO -0.79 -0.24 0.62 0.82 2.80 0.00 0.00 179.97 183.18 1ugo h ILE 52 N -0.37 0.67 0.00 1.20 2.04 0.20 1.49 117.51 122.74 1ugo h ILE 52 Ca -0.02 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1ugo h ILE 52 Cb 0.31 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1ugo h ILE 52 CO 0.02 0.09 -0.03 -0.07 0.00 0.00 0.00 178.15 178.16 1ugo h LEU 53 N 0.51 0.02 -1.23 1.44 3.38 -0.01 -2.05 115.31 117.37 1ugo h LEU 53 Ca 0.52 -0.86 0.07 0.00 0.09 0.00 0.00 57.88 57.70 1ugo h LEU 53 Cb 1.14 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 1ugo h LEU 53 CO -0.24 0.88 0.55 0.00 0.09 0.00 0.00 178.44 179.72 1ugo h THR 54 N -0.83 1.04 0.35 0.22 1.03 0.33 1.49 112.91 116.54 1ugo h THR 54 Ca -0.00 -0.32 -0.02 0.00 -0.01 0.00 0.00 66.41 66.06 1ugo h THR 54 Cb 0.89 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 68.00 1ugo h THR 54 CO 0.01 0.17 -0.17 0.11 -0.01 0.00 0.00 175.52 175.63 1ugo h LYS 55 N 0.93 -0.45 0.00 0.00 6.56 0.20 0.25 116.57 124.06 1ugo h LYS 55 Ca 0.37 0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.97 1ugo h LYS 55 Cb 0.24 0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.00 1ugo h LYS 55 CO -0.13 -0.14 -0.07 1.96 -2.06 0.00 0.00 179.45 179.01 1ugo h GLN 56 N -0.81 0.00 0.15 3.15 1.08 -0.88 -2.77 115.11 115.03 1ugo h GLN 56 Ca -0.05 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1ugo h GLN 56 Cb 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1ugo h GLN 56 CO 0.08 0.07 -0.07 1.25 -0.95 0.00 0.00 178.83 179.21 1ugo h LEU 57 N 0.00 -0.17 -1.14 1.46 5.85 0.23 -3.09 115.31 118.45 1ugo h LEU 57 Ca -0.00 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.82 1ugo h LEU 57 Cb 0.34 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1ugo h LEU 57 CO 0.01 0.14 0.77 0.15 -0.34 0.00 0.00 178.44 179.17 1ugo h PHE 58 N -0.71 0.00 0.02 1.25 3.04 -0.43 2.23 116.94 122.33 1ugo h PHE 58 Ca -0.02 0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.72 1ugo h PHE 58 Cb 0.15 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.65 1ugo h PHE 58 CO 0.02 0.00 -0.95 0.93 -2.02 0.00 0.00 178.31 176.29 1ugo h GLU 59 N 0.00 0.12 0.12 1.11 4.39 -1.50 -2.98 114.58 115.83 1ugo h GLU 59 Ca 0.15 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1ugo h GLU 59 Cb 1.69 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.39 1ugo h GLU 59 CO -0.00 0.98 -0.06 0.82 -1.16 0.00 0.00 179.01 179.59 1ugo h ILE 60 N 0.06 0.92 0.00 3.13 2.04 0.38 -0.16 117.51 123.87 1ugo h ILE 60 Ca -0.04 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1ugo h ILE 60 Cb 1.63 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1ugo h ILE 60 CO 0.14 0.03 -0.03 -0.78 0.00 0.00 0.00 178.15 177.51 1ugo h ASP 61 N -0.21 0.00 -0.22 1.72 1.82 -1.59 -1.22 116.42 116.72 1ugo h ASP 61 Ca -0.02 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.49 1ugo h ASP 61 Cb 0.17 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.18 1ugo h ASP 61 CO 0.03 0.03 -0.39 0.28 -1.61 0.00 0.00 179.24 177.58 1ugo h SER 62 N 0.00 0.73 -1.67 2.28 0.02 -1.09 -3.43 113.55 110.40 1ugo h SER 62 Ca -0.00 -0.53 -0.63 0.00 -0.84 0.00 0.00 61.79 59.78 1ugo h SER 62 Cb 0.07 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1ugo h SER 62 CO 0.00 1.12 1.30 0.52 -1.14 0.00 0.00 176.83 178.63 1ugo n VAL 63 N -4.23 0.38 -2.39 2.27 0.31 -0.19 -4.91 118.33 109.57 1ugo n VAL 63 Ca -0.05 -0.24 -0.33 0.00 -0.01 0.00 0.00 64.34 63.71 1ugo n VAL 63 Cb 0.53 -1.93 -0.02 0.00 -0.91 0.00 0.00 33.84 31.51 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 6.18 6.25 -0.04 4.52 2.15 -1.26 -4.97 116.67 129.49 1ugo s ASP 64 Ca 1.01 1.83 0.06 0.00 0.43 0.00 0.00 52.55 55.88 1ugo s ASP 64 Cb -0.68 -2.54 -0.09 0.00 -0.30 0.00 0.00 42.92 39.30 1ugo s ASP 64 CO 0.48 -0.85 0.08 0.35 -0.17 0.00 0.00 175.17 175.06 1ugo n THR 65 N -1.36 0.25 -2.92 1.71 -2.24 -1.26 -4.88 114.28 103.57 1ugo n THR 65 Ca 0.09 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 1ugo n THR 65 Cb 0.53 -0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 68.45 1ugo n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ugo n GLU 66 N -2.02 -2.59 -2.73 -0.78 -0.58 -1.26 -0.08 120.64 110.60 1ugo n GLU 66 Ca -0.06 0.20 -0.10 0.00 -0.42 0.00 0.00 57.16 56.77 1ugo n GLU 66 Cb 0.47 -4.76 0.05 0.00 -0.57 0.00 0.00 31.44 26.64 1ugo n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ugo n GLY 67 N -0.74 -0.36 2.73 0.62 0.00 -1.26 -5.02 105.19 101.17 1ugo n GLY 67 Ca -0.01 0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1ugo n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ugo s LYS 68 N -4.18 1.31 0.17 1.61 1.02 0.88 -5.00 119.74 115.55 1ugo s LYS 68 Ca 0.22 -2.01 -0.18 0.00 0.02 0.00 0.00 55.97 54.02 1ugo s LYS 68 Cb -0.03 -2.39 0.10 0.00 -0.52 0.00 0.00 37.83 34.99 1ugo s LYS 68 CO 0.49 -1.15 1.27 0.41 -0.92 0.00 0.00 175.35 175.45 1ugo n GLY 69 N 3.57 -1.85 0.36 -3.33 0.00 -1.26 0.16 105.19 102.83 1ugo n GLY 69 Ca 0.08 0.94 0.08 0.00 0.00 0.00 0.00 46.02 47.12 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 -5.14 -0.30 -0.03 1.61 8.00 -1.26 0.19 116.55 119.62 1ugo n ASP 70 Ca 0.06 1.72 -0.04 0.00 0.71 0.00 0.00 54.79 57.23 1ugo n ASP 70 Cb 0.29 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 40.81 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 0.41 -1.00 0.53 2.04 0.11 -3.09 117.51 116.52 1ugo h ILE 71 Ca 0.51 -1.25 0.15 0.00 1.00 0.00 0.00 64.86 65.27 1ugo h ILE 71 Cb 0.85 0.77 -0.16 0.00 -0.74 0.00 0.00 36.82 37.54 1ugo h ILE 71 CO -1.01 0.14 -0.40 1.67 0.00 0.00 0.00 178.15 178.55 1ugo n GLN 72 N -4.78 -0.24 0.13 2.37 0.00 0.40 0.93 117.38 116.19 1ugo n GLN 72 Ca -0.03 1.53 -0.13 0.00 -0.00 0.00 0.00 57.00 58.38 1ugo n GLN 72 Cb 0.13 -2.27 -0.07 0.00 0.00 0.00 0.00 30.24 28.02 1ugo n GLN 72 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 1ugo h GLN 73 N 0.00 -0.61 -0.40 3.69 7.50 0.19 0.50 115.11 125.98 1ugo h GLN 73 Ca 0.34 0.04 0.08 0.00 0.50 0.00 0.00 58.65 59.61 1ugo h GLN 73 Cb 0.59 0.14 -0.09 0.00 0.05 0.00 0.00 27.48 28.17 1ugo h GLN 73 CO -0.99 -0.40 -0.29 0.00 -1.50 0.00 0.00 178.83 175.64 1ugo h ALA 74 N -0.91 -0.11 0.01 3.87 0.00 -0.89 1.53 119.26 122.75 1ugo h ALA 74 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ugo h ALA 74 Cb 0.60 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ugo h ALA 74 CO -0.16 -0.68 -0.03 -0.09 0.00 0.00 0.00 179.25 178.29 1ugo h ARG 75 N -0.22 -0.04 -0.53 0.00 2.43 0.10 1.21 114.38 117.33 1ugo h ARG 75 Ca 0.18 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.51 1ugo h ARG 75 Cb 0.52 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1ugo h ARG 75 CO -0.53 -0.03 0.49 1.57 -1.51 0.00 0.00 179.97 179.96 1ugo h LYS 76 N -0.05 0.00 -0.00 0.20 2.10 0.33 1.13 116.57 120.29 1ugo h LYS 76 Ca -0.00 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.49 1ugo h LYS 76 Cb 0.05 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.35 1ugo h LYS 76 CO -0.02 0.00 -0.76 0.00 -2.00 0.00 0.00 179.45 176.67 1ugo h ARG 77 N 0.00 0.01 0.13 0.07 3.08 0.43 -2.81 114.38 115.29 1ugo h ARG 77 Ca 0.25 -0.01 -0.29 0.00 0.07 0.00 0.00 59.98 60.00 1ugo h ARG 77 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1ugo h ARG 77 CO -0.00 0.76 -1.41 0.00 -1.07 0.00 0.00 179.97 178.25 1ugo h ALA 78 N 1.23 0.17 0.00 0.04 0.00 0.98 -2.87 119.26 118.82 1ugo h ALA 78 Ca -0.01 -1.00 -0.01 0.00 0.00 0.00 0.00 54.91 53.88 1ugo h ALA 78 Cb 1.34 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1ugo h ALA 78 CO 0.10 1.04 -0.07 0.00 0.00 0.00 0.00 179.25 180.32 1ugo h ALA 79 N 0.51 1.72 0.11 0.00 0.00 -0.39 0.79 119.26 122.00 1ugo h ALA 79 Ca -0.20 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 1ugo h ALA 79 Cb 2.01 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.81 1ugo h ALA 79 CO 0.19 0.09 -0.80 1.96 0.00 0.00 0.00 179.25 180.69 1ugo h GLN 80 N 0.00 0.35 -0.12 0.00 4.20 -1.51 -2.51 115.11 115.52 1ugo h GLN 80 Ca -0.00 -0.52 -0.03 0.00 0.06 0.00 0.00 58.65 58.16 1ugo h GLN 80 Cb 0.14 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 1ugo h GLN 80 CO 0.01 1.22 -0.06 0.93 -0.67 0.00 0.00 178.83 180.26 1ugo h GLU 81 N -0.27 0.25 -0.67 1.46 3.07 -1.16 0.12 114.58 117.38 1ugo h GLU 81 Ca -0.13 -0.11 0.03 0.00 -0.50 0.00 0.00 59.36 58.65 1ugo h GLU 81 Cb 1.59 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 29.45 1ugo h GLU 81 CO 0.15 0.60 0.44 1.15 -1.40 0.00 0.00 179.01 179.95 1ugo h THR 82 N -0.11 1.11 -0.08 1.13 2.02 0.45 -2.19 112.91 115.23 1ugo h THR 82 Ca 0.03 -0.28 -0.11 0.00 0.77 0.00 0.00 66.41 66.81 1ugo h THR 82 Cb 0.52 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1ugo h THR 82 CO 0.02 0.15 -0.39 -0.33 0.37 0.00 0.00 175.52 175.34 1ugo h GLU 83 N 0.82 0.41 -0.29 6.66 4.39 -1.31 -3.01 114.58 122.26 1ugo h GLU 83 Ca 0.26 -0.33 0.04 0.00 0.34 0.00 0.00 59.36 59.67 1ugo h GLU 83 Cb 0.03 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.67 1ugo h GLU 83 CO -0.07 0.96 -0.54 0.00 -1.16 0.00 0.00 179.01 178.20 1ugo h ARG 84 N -0.04 -0.46 -0.69 2.33 3.08 -0.18 0.95 114.38 119.37 1ugo h ARG 84 Ca -0.02 0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.20 1ugo h ARG 84 Cb 1.03 0.10 -0.10 0.00 0.08 0.00 0.00 29.97 31.09 1ugo h ARG 84 CO 0.08 -0.31 0.17 -0.07 -1.07 0.00 0.00 179.97 178.77 1ugo h LEU 85 N -0.48 0.02 -1.85 3.04 -0.00 -1.52 0.98 115.31 115.51 1ugo h LEU 85 Ca 0.06 0.13 0.22 0.00 -0.00 0.00 0.00 57.88 58.29 1ugo h LEU 85 Cb 0.63 0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 41.43 1ugo h LEU 85 CO -0.53 -0.01 0.57 0.25 -0.00 0.00 0.00 178.44 178.72 1ugo h LEU 86 N 0.28 0.13 0.00 1.67 6.46 -0.73 0.79 115.31 123.91 1ugo h LEU 86 Ca 0.38 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 58.12 1ugo h LEU 86 Cb 0.62 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 1ugo h LEU 86 CO -0.47 0.05 -0.21 0.11 -0.62 0.00 0.00 178.44 177.31 1ugo h LYS 87 N 0.13 0.00 -1.07 1.25 1.79 0.23 -3.23 116.57 115.67 1ugo h LYS 87 Ca 0.40 0.00 0.33 0.00 -2.18 0.00 0.00 60.65 59.20 1ugo h LYS 87 Cb 1.36 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.88 1ugo h LYS 87 CO -0.06 0.76 0.64 0.93 -1.08 0.00 0.00 179.45 180.65 1ugo h GLU 88 N -1.00 0.29 0.66 3.15 4.39 0.93 0.14 114.58 123.15 1ugo h GLU 88 Ca -0.05 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1ugo h GLU 88 Cb 0.83 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1ugo h GLU 88 CO -0.03 0.19 -0.32 1.25 -1.16 0.00 0.00 179.01 178.95 1ugo h LEU 89 N 0.30 -0.75 -1.81 1.33 5.85 -1.00 1.47 115.31 120.71 1ugo h LEU 89 Ca 0.73 0.03 0.52 0.00 0.84 0.00 0.00 57.88 59.99 1ugo h LEU 89 Cb 1.80 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 42.95 1ugo h LEU 89 CO -0.52 -0.52 1.38 -0.33 -0.34 0.00 0.00 178.44 178.11 1ugo h GLU 90 N -0.91 0.00 0.00 1.25 5.08 -1.00 1.06 114.58 120.06 1ugo h GLU 90 Ca -0.09 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1ugo h GLU 90 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1ugo h GLU 90 CO 0.15 0.00 -0.66 0.37 -1.00 0.00 0.00 179.01 177.87 1ugo h GLN 91 N 0.00 0.00 -0.68 2.33 5.75 -0.75 -3.36 115.11 118.41 1ugo h GLN 91 Ca 0.85 0.00 0.20 0.00 -0.15 0.00 0.00 58.65 59.55 1ugo h GLN 91 Cb 3.61 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 32.13 1ugo h GLN 91 CO -0.01 0.21 0.66 -0.91 -2.65 0.00 0.00 178.83 176.13 1ugo h ASN 92 N -1.00 0.00 0.00 -0.69 2.35 0.50 -2.57 115.58 114.16 1ugo h ASN 92 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1ugo h ASN 92 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1ugo h ASN 92 CO -0.04 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.74 1ugo n ALA 93 N -2.42 -0.03 0.00 -0.83 0.00 0.34 -4.49 120.51 113.08 1ugo n ALA 93 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1ugo n ALA 93 Cb 0.90 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.46 1ugo n ALA 93 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ugo n SER 94 N -0.88 0.00 0.00 0.00 3.41 -0.97 -3.30 113.62 111.88 1ugo n SER 94 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ugo n SER 94 Cb 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1ugo n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ugo n GLY 95 N -0.99 0.84 3.78 5.00 0.00 -1.26 -4.60 105.19 107.96 1ugo n GLY 95 Ca 0.00 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 0.55 -0.25 1.61 0.04 -1.26 -5.07 135.00 130.63 1ugo s PRO 96 Ca 0.00 0.06 -0.18 0.00 0.04 0.00 0.00 61.00 60.92 1ugo s PRO 96 Cb 0.00 -1.79 0.07 0.00 0.04 0.00 0.00 34.50 32.82 1ugo s PRO 96 CO 0.00 -2.55 0.63 -1.12 0.04 0.00 0.00 177.00 173.99 1ugo s SER 97 N -4.19 -0.76 -0.22 6.66 0.01 -1.26 -5.14 113.70 108.80 1ugo s SER 97 Ca 0.67 1.33 0.00 0.00 1.31 0.00 0.00 55.95 59.26 1ugo s SER 97 Cb -0.11 1.27 0.05 0.00 0.21 0.00 0.00 66.02 67.44 1ugo s SER 97 CO 0.54 -0.23 -0.06 -0.94 0.41 0.00 0.00 173.24 172.97 1ugo s SER 98 N 1.00 3.58 0.00 2.44 1.04 -1.26 -5.31 113.70 115.19 1ugo s SER 98 Ca -0.05 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1ugo s SER 98 Cb -0.05 -1.12 0.00 0.00 0.10 0.00 0.00 66.02 64.95 1ugo s SER 98 CO -0.09 -0.22 0.37 0.61 0.98 0.00 0.00 173.24 174.89