#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugo n SER 2 N 0.00 -6.87 -3.52 1.61 7.64 -1.26 -5.03 113.62 106.19 1ugo n SER 2 Ca 0.00 -0.07 -0.01 0.00 1.01 0.00 0.00 58.87 59.80 1ugo n SER 2 Cb 0.00 -3.99 -0.05 0.00 -1.01 0.00 0.00 64.21 59.17 1ugo n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ugo s SER 3 N -2.61 -0.66 0.00 6.43 1.04 -1.26 -5.15 113.70 111.49 1ugo s SER 3 Ca 0.15 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.53 1ugo s SER 3 Cb -0.03 1.60 0.00 0.00 0.10 0.00 0.00 66.02 67.70 1ugo s SER 3 CO 0.81 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.50 1ugo n GLY 4 N 4.63 2.33 3.42 7.32 0.00 -1.26 -4.74 105.19 116.89 1ugo n GLY 4 Ca -0.13 0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 2.92 -0.56 1.61 0.15 -1.26 -5.11 113.70 111.45 1ugo s SER 5 Ca 0.00 -1.10 -0.08 0.00 0.70 0.00 0.00 55.95 55.47 1ugo s SER 5 Cb 0.00 -0.20 0.15 0.00 -1.71 0.00 0.00 66.02 64.26 1ugo s SER 5 CO 0.00 -0.20 0.43 -0.55 1.20 0.00 0.00 173.24 174.11 1ugo s SER 6 N -3.42 5.71 0.29 5.45 0.15 -1.26 -5.07 113.70 115.54 1ugo s SER 6 Ca 0.27 -2.30 0.06 0.00 0.70 0.00 0.00 55.95 54.68 1ugo s SER 6 Cb 0.01 -1.99 -0.02 0.00 -1.71 0.00 0.00 66.02 62.31 1ugo s SER 6 CO 0.11 -0.58 0.38 -0.83 1.20 0.00 0.00 173.24 173.53 1ugo s GLY 7 N 1.99 1.42 0.53 9.45 0.00 -1.26 -4.97 107.32 114.48 1ugo s GLY 7 Ca 0.11 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.46 1ugo s GLY 7 CO -0.03 -1.34 0.00 1.03 0.00 0.00 0.00 173.10 172.76 1ugo n MET 8 N -1.48 -4.90 -3.14 2.90 2.00 -1.26 -5.04 117.12 106.20 1ugo n MET 8 Ca -0.05 3.64 0.04 0.00 0.00 0.00 0.00 57.70 61.33 1ugo n MET 8 Cb 0.58 -4.08 -0.00 0.00 0.00 0.00 0.00 33.22 29.72 1ugo n MET 8 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1ugo s ASP 9 N -3.29 -1.02 -0.38 7.83 -1.08 -1.26 -5.10 116.67 112.37 1ugo s ASP 9 Ca 0.00 0.06 -0.03 0.00 -0.52 0.00 0.00 52.55 52.06 1ugo s ASP 9 Cb 0.00 1.61 0.20 0.00 -1.46 0.00 0.00 42.92 43.27 1ugo s ASP 9 CO 0.00 -0.18 0.95 -0.32 0.52 0.00 0.00 175.17 176.14 1ugo s MET 10 N 2.80 0.45 0.00 4.34 1.75 -1.26 -5.11 119.30 122.27 1ugo s MET 10 Ca 0.19 -0.35 0.00 0.00 -1.25 0.00 0.00 55.69 54.28 1ugo s MET 10 Cb -0.05 0.00 0.00 0.00 2.84 0.00 0.00 34.83 37.62 1ugo s MET 10 CO -0.23 -0.59 0.00 0.41 -0.65 0.00 0.00 175.02 173.96 1ugo n GLY 11 N 3.18 -2.04 1.42 2.11 0.00 -1.26 -5.03 105.19 103.56 1ugo n GLY 11 Ca 0.11 -0.78 0.17 0.00 0.00 0.00 0.00 46.02 45.52 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 -7.79 -2.74 1.61 4.13 -1.26 -4.83 115.26 104.37 1ugo n ASN 12 Ca 0.00 1.29 -0.05 0.00 1.68 0.00 0.00 54.58 57.50 1ugo n ASN 12 Cb 0.00 -4.80 0.04 0.00 -1.54 0.00 0.00 39.78 33.48 1ugo n ASN 12 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1ugo n GLN 13 N -4.29 1.49 -1.64 3.52 7.27 -1.26 -4.95 117.38 117.51 1ugo n GLN 13 Ca -0.08 -3.40 0.00 0.00 0.07 0.00 0.00 57.00 53.59 1ugo n GLN 13 Cb 0.67 -1.44 0.00 0.00 2.41 0.00 0.00 30.24 31.87 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 -0.34 -4.52 0.24 3.69 -0.00 -1.26 -2.12 115.22 110.90 1ugo n HIS 14 Ca 0.09 2.42 0.13 0.00 -0.00 0.00 0.00 57.72 60.36 1ugo n HIS 14 Cb 0.81 -3.64 0.40 0.00 -0.00 0.00 0.00 29.99 27.55 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 1.22 0.00 0.00 1.57 0.13 -1.99 -1.50 132.00 131.43 1ugo h PRO 15 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 1ugo h PRO 15 Cb 0.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.43 1ugo h PRO 15 CO 0.00 0.07 -0.73 1.03 -0.23 0.00 0.00 178.00 178.15 1ugo h SER 16 N 0.00 0.00 -0.32 1.44 0.87 -1.88 -3.19 113.55 110.47 1ugo h SER 16 Ca -0.00 -0.35 0.05 0.00 -1.23 0.00 0.00 61.79 60.25 1ugo h SER 16 Cb 0.81 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.72 1ugo h SER 16 CO 0.01 1.09 0.06 0.40 -0.53 0.00 0.00 176.83 177.85 1ugo h ILE 17 N -1.00 0.83 0.00 2.23 1.08 -1.71 0.33 117.51 119.27 1ugo h ILE 17 Ca -0.16 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1ugo h ILE 17 Cb 0.87 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 1ugo h ILE 17 CO -0.09 0.03 0.00 -1.28 -0.69 0.00 0.00 178.15 176.12 1ugo h SER 18 N 0.17 0.00 0.00 1.72 0.87 -0.72 -1.36 113.55 114.23 1ugo h SER 18 Ca 0.15 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1ugo h SER 18 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1ugo h SER 18 CO -0.21 0.00 -0.00 -0.09 -0.53 0.00 0.00 176.83 176.00 1ugo h ARG 19 N 0.00 -0.00 -0.97 2.24 9.65 -0.42 -2.89 114.38 121.98 1ugo h ARG 19 Ca 0.00 0.00 0.09 0.00 -1.10 0.00 0.00 59.98 58.97 1ugo h ARG 19 Cb 0.04 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 28.55 1ugo h ARG 19 CO 0.00 0.85 0.62 -0.07 2.80 0.00 0.00 179.97 184.16 1ugo h LEU 20 N -0.99 0.95 -1.74 3.80 4.07 -0.43 0.38 115.31 121.35 1ugo h LEU 20 Ca -0.00 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 1ugo h LEU 20 Cb 0.85 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.42 1ugo h LEU 20 CO 0.00 0.57 -0.13 1.56 -1.08 0.00 0.00 178.44 179.36 1ugo h GLN 21 N 1.06 0.00 -0.01 1.13 4.20 -1.37 1.60 115.11 121.73 1ugo h GLN 21 Ca 0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.16 1ugo h GLN 21 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1ugo h GLN 21 CO -0.21 0.13 -0.34 0.39 -0.67 0.00 0.00 178.83 178.13 1ugo n GLU 22 N -3.50 0.71 -0.05 1.46 -0.58 0.11 -3.41 120.64 115.38 1ugo n GLU 22 Ca -0.01 -0.44 -0.06 0.00 -0.42 0.00 0.00 57.16 56.22 1ugo n GLU 22 Cb 0.28 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.60 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 -0.76 0.63 0.02 -3.67 5.41 0.06 -4.43 119.36 116.63 1ugo n ILE 23 Ca 0.11 -0.30 -0.12 0.00 1.00 0.00 0.00 62.75 63.44 1ugo n ILE 23 Cb 0.36 -0.85 -0.08 0.00 -0.71 0.00 0.00 39.64 38.36 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 0.01 -0.34 0.38 4.20 0.21 -1.42 115.11 118.15 1ugo h GLN 24 Ca -0.25 -0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.56 1ugo h GLN 24 Cb 1.45 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.21 1ugo h GLN 24 CO -0.02 0.12 0.27 0.07 -0.67 0.00 0.00 178.83 178.61 1ugo h ARG 25 N -0.11 0.00 0.27 1.46 0.11 -1.76 0.38 114.38 114.73 1ugo h ARG 25 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1ugo h ARG 25 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 1ugo h ARG 25 CO -0.00 0.00 -0.13 0.93 0.10 0.00 0.00 179.97 180.87 1ugo h GLU 26 N 0.00 -0.35 -0.48 0.08 4.39 -1.58 0.99 114.58 117.63 1ugo h GLU 26 Ca 0.16 0.02 0.14 0.00 0.34 0.00 0.00 59.36 60.02 1ugo h GLU 26 Cb 0.71 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 1ugo h GLU 26 CO -0.00 -0.23 0.34 -0.39 -1.16 0.00 0.00 179.01 177.57 1ugo h VAL 27 N -0.76 0.77 0.20 3.13 -1.51 -0.91 0.47 116.25 117.65 1ugo h VAL 27 Ca -0.04 -0.01 -0.30 0.00 -1.23 0.00 0.00 66.70 65.13 1ugo h VAL 27 Cb 0.28 0.75 0.03 0.00 -2.13 0.00 0.00 31.29 30.22 1ugo h VAL 27 CO 0.06 0.00 -1.28 0.50 -1.23 0.00 0.00 177.57 175.62 1ugo h LYS 28 N 0.02 0.51 0.00 5.19 3.64 -0.27 -0.53 116.57 125.13 1ugo h LYS 28 Ca 0.23 -0.82 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 1ugo h LYS 28 Cb 0.89 0.30 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1ugo h LYS 28 CO -0.01 1.39 0.00 0.00 -2.27 0.00 0.00 179.45 178.56 1ugo n ALA 29 N -2.70 1.61 0.12 5.00 0.00 0.34 -1.21 120.51 123.68 1ugo n ALA 29 Ca -0.16 0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.40 1ugo n ALA 29 Cb 1.02 -1.36 0.07 0.00 0.00 0.00 0.00 19.45 19.18 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 -2.13 0.48 -0.16 0.00 -6.64 0.14 -4.56 119.36 106.49 1ugo n ILE 30 Ca 0.02 -0.74 -0.10 0.00 -1.77 0.00 0.00 62.75 60.16 1ugo n ILE 30 Cb 0.21 0.85 -0.00 0.00 -1.44 0.00 0.00 39.64 39.26 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 1.61 0.80 0.00 6.28 4.81 0.38 -2.04 114.58 126.42 1ugo h GLU 31 Ca 0.00 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1ugo h GLU 31 Cb 0.51 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1ugo h GLU 31 CO 0.00 0.85 0.00 -0.35 -0.73 0.00 0.00 179.01 178.78 1ugo n PRO 32 N -4.39 0.67 0.00 0.92 -0.04 -1.26 -1.17 135.00 129.74 1ugo n PRO 32 Ca 0.00 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.60 1ugo n PRO 32 Cb 0.29 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.50 1ugo n PRO 32 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ugo n GLN 33 N -1.05 0.50 0.00 0.54 6.02 -0.77 -4.28 117.38 118.35 1ugo n GLN 33 Ca 0.17 -0.32 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 1ugo n GLN 33 Cb 0.10 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.87 1ugo n GLN 33 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1ugo n VAL 34 N -0.97 0.00 -0.04 5.09 3.14 -0.91 -4.41 118.33 120.24 1ugo n VAL 34 Ca 0.09 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.46 1ugo n VAL 34 Cb 0.35 -0.52 -0.01 0.00 -1.06 0.00 0.00 33.84 32.60 1ugo n VAL 34 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1ugo n VAL 35 N -2.22 -0.06 -2.22 1.55 0.31 -0.32 -1.69 118.33 113.67 1ugo n VAL 35 Ca 0.00 1.43 -0.32 0.00 -0.01 0.00 0.00 64.34 65.43 1ugo n VAL 35 Cb 0.43 -1.88 0.02 0.00 -0.91 0.00 0.00 33.84 31.49 1ugo n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ugo n GLY 36 N -1.02 5.81 3.89 2.92 0.00 -1.26 -4.93 105.19 110.59 1ugo n GLY 36 Ca 0.00 -2.64 -0.29 0.00 0.00 0.00 0.00 46.02 43.09 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 -3.77 3.29 -0.25 1.61 5.36 -0.68 -5.03 117.98 118.51 1ugo s PHE 37 Ca 0.50 0.96 -0.02 0.00 -0.96 0.00 0.00 56.93 57.41 1ugo s PHE 37 Cb 0.42 -3.04 0.12 0.00 -0.34 0.00 0.00 43.02 40.17 1ugo s PHE 37 CO -0.28 -1.15 0.27 -1.54 -1.46 0.00 0.00 175.22 171.05 1ugo s SER 38 N -4.36 1.44 0.00 6.13 1.04 -1.26 -4.71 113.70 111.98 1ugo s SER 38 Ca 0.58 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1ugo s SER 38 Cb -0.11 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1ugo s SER 38 CO 0.50 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.98 1ugo n GLY 39 N 5.32 1.20 3.77 7.32 0.00 -1.23 -4.75 105.19 116.81 1ugo n GLY 39 Ca -0.04 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 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 4.10 -0.58 0.99 1.43 -1.26 -3.62 118.68 119.75 1ugo s LEU 40 Ca 0.00 2.32 -0.41 0.00 -1.03 0.00 0.00 54.13 55.01 1ugo s LEU 40 Cb 0.00 -4.13 -0.19 0.00 0.03 0.00 0.00 46.19 41.90 1ugo s LEU 40 CO 0.00 -0.79 2.20 -1.54 0.23 0.00 0.00 176.35 176.45 1ugo n SER 41 N -0.20 0.66 -1.97 2.29 3.41 -1.26 -2.26 113.62 114.28 1ugo n SER 41 Ca 0.06 0.58 -0.02 0.00 -0.26 0.00 0.00 58.87 59.23 1ugo n SER 41 Cb 0.47 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1ugo n SER 41 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ugo n ASP 42 N 7.90 -4.16 0.00 4.04 9.92 -1.26 -5.07 116.55 127.92 1ugo n ASP 42 Ca 0.56 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 55.09 1ugo n ASP 42 Cb -0.03 -2.58 0.00 0.00 -0.64 0.00 0.00 41.12 37.87 1ugo n ASP 42 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1ugo n ASP 43 N -0.27 0.00 0.00 -2.24 8.00 -0.96 -4.88 116.55 116.20 1ugo n ASP 43 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1ugo n ASP 43 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1ugo n ASP 43 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ugo n LYS 44 N -0.84 0.00 -0.02 -1.24 4.01 -1.26 -2.15 118.16 116.66 1ugo n LYS 44 Ca 0.00 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.78 1ugo n LYS 44 Cb 0.00 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 34.50 1ugo n LYS 44 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1ugo n ASN 45 N 6.81 3.84 -0.25 4.39 2.85 -1.26 -4.66 115.26 126.97 1ugo n ASN 45 Ca 0.00 -0.02 0.24 0.00 -0.11 0.00 0.00 54.58 54.70 1ugo n ASN 45 Cb 0.00 0.13 0.45 0.00 1.24 0.00 0.00 39.78 41.60 1ugo n ASN 45 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ugo n TYR 46 N -2.47 0.89 -0.02 1.20 4.19 -0.91 0.94 117.16 120.98 1ugo n TYR 46 Ca -0.07 0.91 -0.15 0.00 3.31 0.00 0.00 57.90 61.91 1ugo n TYR 46 Cb 0.59 -1.33 -0.10 0.00 0.49 0.00 0.00 39.34 38.99 1ugo n TYR 46 CO 0.00 0.00 0.00 0.87 0.91 0.00 0.00 176.86 178.64 1ugo h LYS 47 N 0.00 -0.54 0.38 2.98 1.79 -1.83 0.31 116.57 119.66 1ugo h LYS 47 Ca 0.65 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 59.14 1ugo h LYS 47 Cb 1.72 0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 32.49 1ugo h LYS 47 CO -0.60 -0.36 -0.22 -0.09 -1.08 0.00 0.00 179.45 177.10 1ugo h ARG 48 N -0.56 -0.55 -0.93 3.15 9.65 0.25 -1.94 114.38 123.45 1ugo h ARG 48 Ca 0.03 0.04 0.10 0.00 -1.10 0.00 0.00 59.98 59.05 1ugo h ARG 48 Cb 0.66 0.13 -0.12 0.00 -1.39 0.00 0.00 29.97 29.24 1ugo h ARG 48 CO -0.44 -0.37 -0.55 -0.07 2.80 0.00 0.00 179.97 181.34 1ugo h LEU 49 N -0.58 -2.01 -0.00 3.80 4.07 -0.81 0.77 115.31 120.56 1ugo h LEU 49 Ca -0.04 0.32 0.01 0.00 0.08 0.00 0.00 57.88 58.25 1ugo h LEU 49 Cb 0.47 0.90 -0.04 0.00 1.08 0.00 0.00 40.66 43.08 1ugo h LEU 49 CO 0.05 -0.26 -0.34 -0.08 -1.08 0.00 0.00 178.44 176.73 1ugo h GLU 50 N -0.05 -0.42 -0.67 1.13 4.81 -0.23 0.93 114.58 120.10 1ugo h GLU 50 Ca 0.18 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.56 1ugo h GLU 50 Cb 0.46 0.09 -0.13 0.00 0.63 0.00 0.00 28.75 29.81 1ugo h GLU 50 CO -0.91 -0.28 -0.29 0.00 -0.73 0.00 0.00 179.01 176.81 1ugo h ARG 51 N -0.43 -0.09 -0.08 1.92 2.47 -0.32 1.55 114.38 119.39 1ugo h ARG 51 Ca 0.01 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.76 1ugo h ARG 51 Cb 0.46 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.74 1ugo h ARG 51 CO -0.23 -0.06 -0.52 0.82 0.56 0.00 0.00 179.97 180.54 1ugo h ILE 52 N -0.10 0.00 0.44 2.04 2.04 0.12 0.81 117.51 122.86 1ugo h ILE 52 Ca 0.28 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.13 1ugo h ILE 52 Cb 0.55 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1ugo h ILE 52 CO -0.73 0.00 -0.34 -0.07 0.00 0.00 0.00 178.15 177.01 1ugo h LEU 53 N -0.58 -0.89 -1.19 1.44 3.38 0.76 0.29 115.31 118.52 1ugo h LEU 53 Ca 0.02 0.07 0.34 0.00 0.09 0.00 0.00 57.88 58.40 1ugo h LEU 53 Cb 0.66 0.28 -0.13 0.00 0.09 0.00 0.00 40.66 41.57 1ugo h LEU 53 CO -0.39 -0.51 0.67 0.00 0.09 0.00 0.00 178.44 178.30 1ugo h THR 54 N -0.77 0.31 -0.02 0.22 1.03 0.27 1.59 112.91 115.53 1ugo h THR 54 Ca -0.04 -0.10 -0.03 0.00 -0.01 0.00 0.00 66.41 66.23 1ugo h THR 54 Cb 0.67 -0.00 0.00 0.00 -1.07 0.00 0.00 68.15 67.75 1ugo h THR 54 CO -0.00 0.05 -0.09 0.50 -0.01 0.00 0.00 175.52 175.97 1ugo h LYS 55 N 0.29 0.10 -0.24 0.00 1.63 0.16 -2.01 116.57 116.50 1ugo h LYS 55 Ca 0.72 -0.08 0.01 0.00 -0.85 0.00 0.00 60.65 60.45 1ugo h LYS 55 Cb 1.86 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.49 1ugo h LYS 55 CO -0.48 0.72 0.15 1.96 -3.45 0.00 0.00 179.45 178.34 1ugo h GLN 56 N -0.50 0.30 0.32 1.90 1.08 0.35 -2.27 115.11 116.29 1ugo h GLN 56 Ca -0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1ugo h GLN 56 Cb 0.73 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.06 1ugo h GLN 56 CO 0.02 0.20 -0.41 1.25 -0.95 0.00 0.00 178.83 178.93 1ugo h LEU 57 N 0.30 -1.16 -1.84 1.46 7.12 0.20 0.47 115.31 121.86 1ugo h LEU 57 Ca 0.09 0.11 0.30 0.00 0.13 0.00 0.00 57.88 58.51 1ugo h LEU 57 Cb -0.02 0.40 -0.04 0.00 -0.53 0.00 0.00 40.66 40.47 1ugo h LEU 57 CO -0.03 -0.54 0.86 0.15 -0.13 0.00 0.00 178.44 178.75 1ugo h PHE 58 N -0.78 0.00 0.03 1.25 3.04 -1.17 1.49 116.94 120.80 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 39.22 1ugo h PHE 58 CO -0.27 0.00 -1.00 0.93 -2.02 0.00 0.00 178.31 175.96 1ugo h GLU 59 N 0.00 0.15 -0.20 1.11 4.39 -0.36 -2.53 114.58 117.13 1ugo h GLU 59 Ca 0.49 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 1ugo h GLU 59 Cb 2.20 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 30.91 1ugo h GLU 59 CO -0.01 1.02 0.08 0.82 -1.16 0.00 0.00 179.01 179.77 1ugo h ILE 60 N 0.06 1.15 0.00 3.13 2.04 0.33 0.27 117.51 124.50 1ugo h ILE 60 Ca -0.05 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1ugo h ILE 60 Cb 1.69 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1ugo h ILE 60 CO 0.15 0.15 0.00 -0.78 0.00 0.00 0.00 178.15 177.67 1ugo h ASP 61 N 0.17 0.00 0.42 1.72 3.58 -1.44 -2.67 116.42 118.20 1ugo h ASP 61 Ca 0.07 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.20 1ugo h ASP 61 Cb 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1ugo h ASP 61 CO -0.01 0.00 -1.52 -1.28 -2.88 0.00 0.00 179.24 173.55 1ugo h SER 62 N 0.00 0.48 -2.27 2.28 0.87 -0.79 -3.45 113.55 110.67 1ugo h SER 62 Ca 0.00 -0.63 -0.55 0.00 -1.23 0.00 0.00 61.79 59.39 1ugo h SER 62 Cb 0.45 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1ugo h SER 62 CO 0.00 1.52 1.30 -0.69 -0.53 0.00 0.00 176.83 178.43 1ugo s VAL 63 N -2.61 3.02 0.12 2.23 1.01 0.84 -4.94 120.40 120.07 1ugo s VAL 63 Ca -0.09 0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.65 1ugo s VAL 63 Cb 0.06 -3.02 -0.07 0.00 0.00 0.00 0.00 36.38 33.36 1ugo s VAL 63 CO 0.87 -0.00 0.79 -0.62 0.00 0.00 0.00 175.10 176.14 1ugo s ASP 64 N 5.49 7.34 -0.19 3.32 2.15 -1.26 -4.96 116.67 128.56 1ugo s ASP 64 Ca 0.92 1.59 0.13 0.00 0.43 0.00 0.00 52.55 55.62 1ugo s ASP 64 Cb -0.40 -2.50 -0.23 0.00 -0.30 0.00 0.00 42.92 39.49 1ugo s ASP 64 CO 0.40 0.11 0.09 0.35 -0.17 0.00 0.00 175.17 175.95 1ugo n THR 65 N 2.18 1.45 -3.70 1.71 -2.24 -1.26 -4.84 114.28 107.59 1ugo n THR 65 Ca -0.04 -0.78 -0.26 0.00 -2.27 0.00 0.00 64.05 60.70 1ugo n THR 65 Cb 0.49 -0.78 0.06 0.00 -2.10 0.00 0.00 70.33 68.00 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 -2.92 -7.14 -3.15 -0.78 2.13 -1.26 -2.56 120.64 104.96 1ugo n GLU 66 Ca -0.34 0.75 -0.14 0.00 0.66 0.00 0.00 57.16 58.10 1ugo n GLU 66 Cb 1.11 -5.75 0.07 0.00 0.27 0.00 0.00 31.44 27.13 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 -1.88 -0.74 2.72 8.31 0.00 -1.26 -5.00 105.19 107.33 1ugo n GLY 67 Ca 0.01 0.36 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.57 1.23 0.18 1.61 1.02 -1.06 -5.00 119.74 113.14 1ugo s LYS 68 Ca 0.28 -1.91 -0.26 0.00 0.02 0.00 0.00 55.97 54.11 1ugo s LYS 68 Cb -0.04 -2.30 0.03 0.00 -0.52 0.00 0.00 37.83 34.99 1ugo s LYS 68 CO 0.66 -1.14 1.50 0.41 -0.92 0.00 0.00 175.35 175.86 1ugo n GLY 69 N 3.69 -2.36 0.40 -3.33 0.00 -1.26 0.19 105.19 102.52 1ugo n GLY 69 Ca 0.08 1.13 0.36 0.00 0.00 0.00 0.00 46.02 47.58 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 -5.28 0.24 -0.09 1.61 8.00 -1.26 0.20 116.55 119.97 1ugo n ASP 70 Ca 0.04 1.38 -0.11 0.00 0.71 0.00 0.00 54.79 56.81 1ugo n ASP 70 Cb 0.29 -0.68 -0.05 0.00 -0.02 0.00 0.00 41.12 40.67 1ugo n ASP 70 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1ugo n ILE 71 N -4.75 1.47 -0.31 0.53 5.41 0.52 -3.63 119.36 118.59 1ugo n ILE 71 Ca 0.37 0.10 0.13 0.00 1.00 0.00 0.00 62.75 64.35 1ugo n ILE 71 Cb 1.40 -2.26 0.27 0.00 -0.71 0.00 0.00 39.64 38.34 1ugo n ILE 71 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1ugo h GLN 72 N -1.00 0.09 0.39 0.38 4.15 0.41 0.79 115.11 120.33 1ugo h GLN 72 Ca -0.14 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 1ugo h GLN 72 Cb 0.85 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.51 1ugo h GLN 72 CO -0.09 0.06 -0.24 1.96 -1.93 0.00 0.00 178.83 178.59 1ugo h GLN 73 N 0.09 -0.59 0.23 1.69 7.50 0.20 0.32 115.11 124.55 1ugo h GLN 73 Ca 0.55 0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.75 1ugo h GLN 73 Cb 1.12 0.13 -0.02 0.00 0.05 0.00 0.00 27.48 28.76 1ugo h GLN 73 CO -0.78 -0.39 -0.25 0.00 -1.50 0.00 0.00 178.83 175.91 1ugo h ALA 74 N -0.04 -0.51 0.01 3.87 0.00 -0.67 0.21 119.26 122.13 1ugo h ALA 74 Ca -0.04 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ugo h ALA 74 Cb 0.51 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1ugo h ALA 74 CO 0.04 -0.82 -0.16 -0.09 0.00 0.00 0.00 179.25 178.22 1ugo h ARG 75 N -0.53 -0.20 -0.54 0.00 2.43 0.56 1.47 114.38 117.58 1ugo h ARG 75 Ca -0.00 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.34 1ugo h ARG 75 Cb 0.50 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1ugo h ARG 75 CO -0.07 -0.13 0.63 1.57 -1.51 0.00 0.00 179.97 180.46 1ugo h LYS 76 N -0.21 0.00 0.05 0.20 2.10 -0.31 1.59 116.57 119.99 1ugo h LYS 76 Ca 0.00 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.40 1ugo h LYS 76 Cb 0.22 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.53 1ugo h LYS 76 CO -0.10 0.00 -1.22 0.00 -2.00 0.00 0.00 179.45 176.13 1ugo h ARG 77 N 0.00 0.10 0.00 0.07 2.47 0.28 -3.21 114.38 114.09 1ugo h ARG 77 Ca 0.25 -0.17 -0.04 0.00 -1.26 0.00 0.00 59.98 58.76 1ugo h ARG 77 Cb 1.51 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.89 1ugo h ARG 77 CO -0.00 1.01 -0.20 0.00 0.56 0.00 0.00 179.97 181.33 1ugo h ALA 78 N 0.83 0.88 -0.23 0.04 0.00 1.27 -2.32 119.26 119.72 1ugo h ALA 78 Ca -0.11 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1ugo h ALA 78 Cb 1.88 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1ugo h ALA 78 CO 0.15 0.25 -0.40 0.00 0.00 0.00 0.00 179.25 179.25 1ugo h ALA 79 N 1.80 0.87 0.20 0.00 0.00 -0.31 -2.32 119.26 119.49 1ugo h ALA 79 Ca -0.00 -0.44 -0.31 0.00 0.00 0.00 0.00 54.91 54.16 1ugo h ALA 79 Cb 1.11 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.82 1ugo h ALA 79 CO 0.03 0.64 -1.40 1.96 0.00 0.00 0.00 179.25 180.48 1ugo h GLN 80 N 0.45 0.42 0.39 0.00 4.20 -1.54 -3.06 115.11 115.96 1ugo h GLN 80 Ca 0.04 -0.72 -0.01 0.00 0.06 0.00 0.00 58.65 58.02 1ugo h GLN 80 Cb 0.89 0.27 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 1ugo h GLN 80 CO 0.08 1.34 -0.37 0.93 -0.67 0.00 0.00 178.83 180.14 1ugo h GLU 81 N 0.11 -0.72 0.02 1.46 3.07 -1.32 0.49 114.58 117.68 1ugo h GLU 81 Ca -0.21 0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.72 1ugo h GLU 81 Cb 2.09 0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 30.11 1ugo h GLU 81 CO 0.24 -0.48 -0.49 1.15 -1.40 0.00 0.00 179.01 178.03 1ugo h THR 82 N -0.75 0.06 -1.01 1.13 2.02 -1.57 -0.16 112.91 112.64 1ugo h THR 82 Ca -0.05 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.35 1ugo h THR 82 Cb 0.65 0.06 -0.11 0.00 -1.74 0.00 0.00 68.15 67.00 1ugo h THR 82 CO -0.04 0.00 0.61 -0.33 0.37 0.00 0.00 175.52 176.13 1ugo h GLU 83 N -0.65 0.62 -0.10 6.66 4.39 -1.45 -1.05 114.58 123.01 1ugo h GLU 83 Ca 0.02 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.71 1ugo h GLU 83 Cb 0.71 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.16 1ugo h GLU 83 CO -0.33 0.41 -0.53 -0.09 -1.16 0.00 0.00 179.01 177.31 1ugo h ARG 84 N 0.64 -0.57 0.01 2.33 2.43 0.19 0.14 114.38 119.55 1ugo h ARG 84 Ca 0.61 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.84 1ugo h ARG 84 Cb 1.11 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.76 1ugo h ARG 84 CO -0.42 -0.38 -0.13 -0.07 -1.51 0.00 0.00 179.97 177.46 1ugo h LEU 85 N -0.59 -0.39 -0.87 3.80 -0.00 -0.87 -2.67 115.31 113.73 1ugo h LEU 85 Ca 0.03 0.06 0.08 0.00 -0.00 0.00 0.00 57.88 58.04 1ugo h LEU 85 Cb 0.67 0.16 -0.11 0.00 -0.00 0.00 0.00 40.66 41.38 1ugo h LEU 85 CO -0.41 -0.19 -0.56 -0.07 -0.00 0.00 0.00 178.44 177.21 1ugo h LEU 86 N -0.23 -2.04 -0.99 1.67 3.38 -0.50 0.51 115.31 117.10 1ugo h LEU 86 Ca 0.04 0.30 0.15 0.00 0.09 0.00 0.00 57.88 58.47 1ugo h LEU 86 Cb 0.28 0.89 -0.16 0.00 0.09 0.00 0.00 40.66 41.77 1ugo h LEU 86 CO -0.13 -0.25 -0.41 0.29 0.09 0.00 0.00 178.44 178.04 1ugo n LYS 87 N -5.18 -0.25 -0.36 1.13 4.76 0.41 0.19 118.16 118.85 1ugo n LYS 87 Ca 0.01 1.53 -0.00 0.00 -2.87 0.00 0.00 58.31 56.97 1ugo n LYS 87 Cb 0.26 -2.26 0.13 0.00 -1.84 0.00 0.00 35.03 31.32 1ugo n LYS 87 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1ugo h GLU 88 N 0.00 1.18 -1.40 1.97 4.39 -0.04 -0.57 114.58 120.11 1ugo h GLU 88 Ca 0.33 -0.07 0.41 0.00 0.34 0.00 0.00 59.36 60.36 1ugo h GLU 88 Cb 0.58 -0.27 -0.06 0.00 -0.10 0.00 0.00 28.75 28.90 1ugo h GLU 88 CO -0.98 0.78 1.09 1.25 -1.16 0.00 0.00 179.01 179.99 1ugo h LEU 89 N 1.21 0.00 0.00 1.33 5.85 0.60 1.31 115.31 125.62 1ugo h LEU 89 Ca 0.38 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.05 1ugo h LEU 89 Cb 0.01 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1ugo h LEU 89 CO -0.12 0.00 -0.43 -0.08 -0.34 0.00 0.00 178.44 177.46 1ugo h GLU 90 N 0.00 0.00 0.46 1.25 4.81 -0.74 -2.97 114.58 117.39 1ugo h GLU 90 Ca 0.67 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.88 1ugo h GLU 90 Cb 2.85 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 32.22 1ugo h GLU 90 CO -0.01 0.53 -0.31 1.96 -0.73 0.00 0.00 179.01 180.45 1ugo h GLN 91 N -1.00 -0.72 -0.71 1.92 4.20 -0.34 -2.44 115.11 116.02 1ugo h GLN 91 Ca -0.09 0.05 0.12 0.00 0.06 0.00 0.00 58.65 58.79 1ugo h GLN 91 Cb 0.72 0.16 -0.09 0.00 0.30 0.00 0.00 27.48 28.58 1ugo h GLN 91 CO -0.05 -0.48 0.28 -0.91 -0.67 0.00 0.00 178.83 176.99 1ugo h ASN 92 N -0.75 0.27 0.00 1.46 2.35 0.13 -3.10 115.58 115.94 1ugo h ASN 92 Ca -0.05 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1ugo h ASN 92 Cb 0.63 0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.07 1ugo h ASN 92 CO 0.03 0.12 0.00 0.00 -1.65 0.00 0.00 177.43 175.93 1ugo n ALA 93 N -2.50 0.00 0.00 -0.83 0.00 -0.93 -4.59 120.51 111.66 1ugo n ALA 93 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1ugo n ALA 93 Cb 0.36 0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.65 0.00 -1.36 0.00 2.88 -1.14 -3.56 113.62 109.77 1ugo n SER 94 Ca 0.00 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.71 1ugo n SER 94 Cb 0.00 0.01 -0.09 0.00 -0.75 0.00 0.00 64.21 63.38 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 -0.94 -3.26 0.12 0.46 0.00 -1.24 -3.87 105.19 96.45 1ugo n GLY 95 Ca 0.00 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 1ugo n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ugo h PRO 96 N -1.34 0.30 -4.84 1.61 0.13 -1.99 -3.43 132.00 122.45 1ugo h PRO 96 Ca -0.18 -0.30 -0.66 0.00 -0.87 0.00 0.00 66.00 64.00 1ugo h PRO 96 Cb 1.31 0.08 -0.20 0.00 0.13 0.00 0.00 31.00 32.32 1ugo h PRO 96 CO 0.07 0.98 -0.54 -1.12 -0.23 0.00 0.00 178.00 177.16 1ugo s SER 97 N -6.48 5.77 0.42 1.44 0.01 -1.26 -4.97 113.70 108.62 1ugo s SER 97 Ca -0.14 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 56.87 1ugo s SER 97 Cb 0.03 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.19 1ugo s SER 97 CO 0.78 -0.12 0.00 -1.20 0.41 0.00 0.00 173.24 173.11 1ugo n SER 98 N 5.03 -6.79 0.00 2.44 7.64 -1.26 -5.12 113.62 115.55 1ugo n SER 98 Ca -0.14 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.66 1ugo n SER 98 Cb 0.51 -4.14 0.00 0.00 -1.01 0.00 0.00 64.21 59.57 1ugo n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64